SCHEMBL10656929

SCHEMBL10656929

COc1cc(C#N)c(Cl)cc1C(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.40
SLC22A12 Q96S37 1/20 0.39
WNT3A P56704 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
FASN P49327 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
IMPDH2 P12268 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
PGR P06401 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36

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
SCHEMBL10654711 0.94 WNT3A (0.43) GAAHPGDALDH1A1SLC22A12WNT3A
SCHEMBL10653765 0.87 ALDH1A1 (0.46) GAAHPGDALDH1A1PGRKDM4E
Hydrochloric Acid SCHEMBL10656938 0.86 ALDH1A1 (0.45) GAAHPGDALDH1A1PGRKDM4E
SCHEMBL10658267 0.81 KDM4E (0.48) GAAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3387533 0.81 GAA (0.51) GAAHPGDALDH1A1HTTSMN1; SMN2
SCHEMBL10715038 0.81 ALDH1A1 (0.46) GAAHPGDALDH1A1WNT3ATNKS2
Hydrochloric Acid SCHEMBL10654717 0.79 ALDH1A1 (0.45) GAAHPGDALDH1A1WNT3ATNKS2
SCHEMBL7797927 0.79 GAA (0.50) GAAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL8902778 0.76 CYP3A4 (0.54) GAAHPGDALDH1A1HTTMEN1
SCHEMBL11807436 0.76 GAA (0.47) GAAHPGDALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772630-A ANTIDEPRESSANTS, ANTISCHIZOPHRENIA CIBA-GEIGY CORP. (US) 1988-09-20 US disclosed