SCHEMBL7846833

SCHEMBL7846833

CCOC(=O)C(N)=CC(Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MMP8 P22894 1/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
F2 P00734 1/20 0.40
MDM4 O15151 1/20 0.40
LMNA P02545 1/20 0.40
MDM2 Q00987 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
CASP1 P29466 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
SCHEMBL28038660 0.80 MEN1 (0.44) MEN1KMT2ASMN1; SMN2CYP1A2MMP8
SCHEMBL5962065 0.73 MEN1 (0.43) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL11136280 0.73 MEN1 (0.72) MEN1KMT2ASMN1; SMN2CYP1A2NPSR1
SCHEMBL3315040 0.73 MEN1 (0.49) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL12449471 0.73 MEN1 (0.72) MEN1KMT2ASMN1; SMN2CYP1A2NPSR1
Toluene SCHEMBL28472970 0.73 MEN1 (0.53) MEN1KMT2ASMN1; SMN2CYP1A2MAPT
SCHEMBL553683 0.71 ALOX5 (0.40) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL10546414 0.71 CASP1 (0.55) MEN1KMT2ASMN1; SMN2CYP1A2CYP2D6
SCHEMBL20913003 0.71 HDAC1 (0.51) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL20913001 0.71 HDAC1 (0.51) MEN1KMT2ASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019050835-A1 TERPOLYMERS FOR OIL SANDS TAILINGS TREATMENT KEMIRA OYJ (FI) 2019-03-14 WO disclosed
US-6177017-B1 COMPLEXING WITH 1,4-DIAZABICYCLO(2.2.2) OCTANE POLYMERS NALCO CHEMICAL COMPANY 2001-01-23 US disclosed
US-6177017-B1 COMPLEXING WITH 1,4-DIAZABICYCLO(2.2.2) OCTANE POLYMERS NALCO CHEMICAL COMPANY 2001-01-23 US disclosed
US-6114484-A REMOVAL OF METAL CYANIDES OR OXOANIONS FROM AQUEOUS STREAMS SUCH AS WASTE WATER STREAMS WITH COMPOUNDS CONTAINING 1,4-DIAZABICYCLO(2.2.2)OCTANE NALCO CHEMICAL COMPANY (US) 2000-09-05 US disclosed
US-6114484-A REMOVAL OF METAL CYANIDES OR OXOANIONS FROM AQUEOUS STREAMS SUCH AS WASTE WATER STREAMS WITH COMPOUNDS CONTAINING 1,4-DIAZABICYCLO(2.2.2)OCTANE NALCO CHEMICAL COMPANY (US) 2000-09-05 US disclosed