SCHEMBL6616629

SCHEMBL6616629

CCNC(=O)n1nc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2O)cc1C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.46
▸ PLCB3 Q01970 1/20 0.46
▸ RAB9A P51151 11/20 0.45
▸ NPC1 O15118 9/20 0.45
▸ MAPT P10636 8/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ LMNA P02545 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6615033 0.94 RAB9A (0.44) PLCG1PLCB3RAB9ANPC1MAPT
SCHEMBL6614792 0.90 RAB9A (0.43) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6614695 0.90 KMT2A (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6620539 0.89 NPC1 (0.44) PLCG1PLCB3RAB9ANPC1MAPT
SCHEMBL6613803 0.89 NPC1 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6612836 0.88 MAPT (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6618939 0.88 KMT2A (0.43) PLCG1PLCB3RAB9ANPC1MAPT
SCHEMBL6613875 0.88 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6616661 0.87 NPC1 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6613283 0.87 NPC1 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1

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 4 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
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 disclosed
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 disclosed
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