SCHEMBL6614185

SCHEMBL6614185

COc1ccccc1C(=O)Nc1ccc(-c2cc(C3CC3)n(C(=O)NC(C)C)n2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 2/20 0.46
▸ MAPT P10636 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ AHR P35869 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ KCNK3 O14649 3/20 0.45
▸ KCNK9 Q9NPC2 3/20 0.45
▸ TP53 P04637 4/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ BRPF1 P55201 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL6618633 0.85 HSD11B1 (0.42) CASP3MAPTRAB9ASMN1; SMN2MAPK1
SCHEMBL6619441 0.82 MAPT (0.48) MAPTKMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL6615384 0.81 TP53 (0.45) CASP3MAPTKMT2ANPC1RAB9A
SCHEMBL6619084 0.81 RAB9A (0.45) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6615512 0.80 ALDH1A1 (0.43) CASP3MAPTKMT2ANPC1RAB9A
SCHEMBL6615822 0.80 KCNMA1 (0.41) CASP3MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL6616043 0.80 MAPT (0.43) CASP3MAPTKMT2ANPC1RAB9A
SCHEMBL6618884 0.79 POLB (0.42) CASP3MAPTKMT2ANPC1RAB9A
SCHEMBL6604618 0.79 RAB9A (0.40) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6617028 0.79 KDM4C (0.42) KMT2AMEN1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
Send feedback