SCHEMBL6616176

SCHEMBL6616176

CCC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3cccs3)cc2O)cc1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.43
▸ MAPT P10636 8/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 9/20 0.42
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ NFKB1 P19838 3/20 0.42
▸ NFKB2 Q00653 3/20 0.42
▸ RELA Q04206 3/20 0.42
▸ LMNA P02545 4/20 0.41
▸ GAA P10253 4/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ USP2 O75604 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ QRFPR Q96P65 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
SCHEMBL6603569 0.86 TYK2 (0.40) RAB9ANPC1SMN1; SMN2
SCHEMBL6606969 0.85 POLB (0.43) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL6616391 0.85 TYK2 (0.40) RAB9ANPC1SMN1; SMN2
SCHEMBL6605135 0.84 TMIGD3 (0.42) MAPTLMNA
SCHEMBL6616599 0.84 KMT2A (0.43) KMT2AMEN1LMNAGAA
SCHEMBL6619499 0.84 CHRM5 (0.40) RAB9AMAPTNPC1SMN1; SMN2LMNA
SCHEMBL6617536 0.83 AAK1 (0.40) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL6615959 0.83 P2RY14 (0.41) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL6618436 0.83 RAB9A (0.43) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL6615819 0.82 NPSR1 (0.40) RAB9AMAPTALDH1A1KDM4EHPGD

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