SCHEMBL691759

SCHEMBL691759

CCCc1ccc(C2=C(C(=O)O)N=NC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
RARB P10826 8/20 0.43
PDE10A Q9Y233 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PLK1 P53350 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL691486 0.79 RARB (0.35) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL692332 0.77 TSHR (0.44) SMN1; SMN2NPC1TP53RAB9AALDH1A1
SCHEMBL691310 0.72 POLB (0.39) SMN1; SMN2ALDH1A1KDM4ELMNATSHR
SCHEMBL691425 0.72 CA2 (0.38) MEN1KMT2ACYP1A2
SCHEMBL200372 0.70 RARB (0.79) MCL1SMN1; SMN2NPC1TP53RAB9A
SCHEMBL12254177 0.69 HIF1A (0.62) MCL1SMN1; SMN2NPC1TP53RAB9A
Hydrochloric Acid SCHEMBL11652762 0.68 RARB (0.77) MCL1SMN1; SMN2NPC1TP53RAB9A
Bicarbonate SCHEMBL27643185 0.68 FFAR1 (0.62) MCL1SMN1; SMN2RARBALDH1A1MEN1
SCHEMBL44017 0.67 RARB (0.69) SMN1; SMN2NPC1TP53RAB9ARARB
SCHEMBL10339235 0.67 SMN1; SMN2 (0.61) MCL1SMN1; SMN2NPC1TP53RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421501-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP claimed
WO-2010123863-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO claimed
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