SCHEMBL6616043

SCHEMBL6616043

COc1ccccc1C(=O)Nc1ccc(O)c(-c2cc(C3CC3)n(C(=O)NCCc3ccccc3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ KCNA3 P22001 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ POLB P06746 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KCNK3 O14649 2/20 0.40
▸ KCNK9 Q9NPC2 2/20 0.40
▸ CASP3 P42574 2/20 0.40
▸ GBA1 P04062 1/20 0.39
▸ HTR1A P08908 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
SCHEMBL6615384 0.92 TP53 (0.45) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL6615822 0.88 KCNMA1 (0.41) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL6619099 0.87 KCNK3 (0.43) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL6661397 0.87 CRACR2A (0.45) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL6615757 0.86 KDM4C (0.40) MAPTSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL6615419 0.85 MAPT (0.40) MAPTSMN1; SMN2RAB9AHSD17B10MEN1
SCHEMBL6618884 0.85 POLB (0.42) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL6620553 0.85 RAB9A (0.42) NPC1RAB9APOLBALDH1A1KDM4E
SCHEMBL6615915 0.85 PAX8 (0.49) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL6615311 0.85 CHRM5 (0.42) MAPTTP53NPC1RAB9AMEN1

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