SCHEMBL692332

SCHEMBL692332

O=C(O)C1=C(c2ccc(C(=O)O)cc2)C(=O)N=N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
TPMT P51580 1/20 0.42
SRD5A2 P31213 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA3 P07451 1/20 0.39
TYR P14679 1/20 0.39
DRD1 P21728 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL692285 0.85 FGFR1 (0.43) TSHRALDH1A1KDM4EALOX15SMN1; SMN2
SCHEMBL695537 0.84 RXRA (0.46) TSHRTP53BCL2L1BADTPMT
SCHEMBL691425 0.80 CA2 (0.38) CA2CA4CA5A
SCHEMBL691310 0.80 POLB (0.39) TSHRCA1CA2CA12CA9
SCHEMBL691605 0.76 TP53 (0.39) TSHRTP53BCL2L1BADTPMT
SCHEMBL69873 0.70 TSHR (0.80) TSHRTP53BCL2L1BADTPMT
SCHEMBL14018385 0.70 TSHR (0.80) TSHRTP53BCL2L1BADTPMT
SCHEMBL2637326 0.70 TSHR (0.80) TSHRTP53BCL2L1BADTPMT
Terephthalic Acid SCHEMBL9577834 0.70 TSHR (0.80) TSHRTP53BCL2L1BADTPMT
Terephthalic Acid SCHEMBL28655741 0.69 TSHR (0.92) TSHRTP53BCL2L1BADTPMT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015153819-A1 HAIR COLOURING COMPOSITIONS, KITS, METHOD, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2015-10-08 WO disclosed
EP-2884959-A2 HAIR COLORANT COMPOSITIONS COMPRISING 2-METHOXYMETHYL-1,4-DIAMINOBENZENE AND 5-AMINO-4-CHLORO-O-CRESOL, METHODS, AND KITS COMPRISING THE COMPOSITIONS The Procter & Gamble Company (US) 2015-06-24 EP disclosed
EP-2863876-A2 HAIR COLORANT COMPOSITIONS COMPRISING 2-METHOXYMETHYL-1,4-DIAMINOBENZENE, METHODS, AND KITS The Procter & Gamble Company (US) 2015-04-29 EP disclosed
EP-2863877-A2 HAIR COLORANT COMPOSITIONS COMPRISING 2-METHOXYMETHYL-1,4-DIAMINOBENZENE AND 2,6-DIAMINOPYRIDINE, METHODS, AND KITS COMPRISING THE COMPOSITIONS The Procter & Gamble Company (US) 2015-04-29 EP disclosed
EP-2863882-A2 HAIR COLORANT COMPOSITIONS COMPRISING 2-METHOXYMETHYL-1,4-DIAMINOBENZENE AND 2,6-DIHYDROXYETHYLAMINOTOLUENE, METHODS, AND KITS COMPRISING THE COMPOSITIONS The Procter & Gamble Company (US) 2015-04-29 EP disclosed
EP-2830578-A2 HAIR COLORANT COMPOSITIONS COMPRISING AMINO -2,6- DIMETHYLPHENOL AND 1,4- PHENYLENEDIAMINE-TYPE DEVELOPERS, METHODS, AND KITS COMPRISING THE COMPOSITIONS The Procter & Gamble Company (US) 2015-02-04 EP disclosed
EP-2830579-A2 HAIR COLORANT COMPOSITIONS COMPRISING 3-AMINO 2,6 DIMETHYLPHENOL, METHODS, AND KITS COMPRISING THE COMPOSITIONS The Procter & Gamble Company (US) 2015-02-04 EP disclosed
WO-2014004449-A2 HAIR COLORANT COMPOSITIONS COMPRISING 2-METHOXYMETHYL-1,4-DIAMINOBENZENE AND 5-AMINO-4-CHLORO-O-CRESOL, METHODS, AND KITS COMPRISING THE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-01-03 WO disclosed
WO-2014004438-A2 HAIR COLORANT COMPOSITIONS COMPRISING 2-METHOXYMETHYL-1,4-DIAMINOBENZENE AND 2,6-DIAMINOPYRIDINE, METHODS, AND KITS COMPRISING THE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-01-03 WO disclosed
WO-2014004459-A2 HAIR COLORANT COMPOSITIONS COMPRISING 2-METHOXYMETHYL-1,4-DIAMINOBENZENE AND 2,6-DIHYDROXYETHYLAMINOTOLUENE, METHODS, AND KITS COMPRISING THE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-01-03 WO disclosed
WO-2014004451-A2 HAIR COLORANT COMPOSITIONS COMPRISING 2-METHOXYMETHYL-1,4-DIAMINOBENZENE, METHODS, AND KITS COMPRISING THE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-01-03 WO disclosed
WO-2013148805-A2 HAIR COLORANT COMPOSITIONS COMPRISING 3- AMINO -2,6- DIMETHYLPHENOL AND 4- AMINOPHENOL-TYPE DEVELOPERS, METHODS, AND KITS COMPRISING THE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2013-10-03 WO disclosed
WO-2013148804-A2 HAIR COLORANT COMPOSITIONS COMPRISING AMINO -2,6- DIMETHYLPHENOL AND 1,4- PHENYLENEDIAMINE-TYPE DEVELOPERS, METHODS, AND KITS COMPRISING THE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2013-10-03 WO disclosed
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed