SCHEMBL6620182

SCHEMBL6620182

COc1ccc(CNC(=O)n2nc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3O)cc2C2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ACKR3 P25106 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NAMPT P43490 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40

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
SCHEMBL6613507 0.94 MAPT (0.42) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL6618517 0.94 KDM4E (0.45) MAPTLMNAPOLBPKMNPC1
SCHEMBL6616947 0.91 SSTR3 (0.43) MAPTLMNAPOLBNAMPTALDH1A1
SCHEMBL6619787 0.88 MAPK14 (0.41) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL6619980 0.88 GCGR (0.45) NPC1RAB9AACKR3NAMPT
SCHEMBL6615997 0.88 GCGR (0.45) LMNASMN1; SMN2NAMPTALDH1A1HPGD
SCHEMBL6618105 0.88 CCR2 (0.40) MAPTLMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL6673259 0.87 NAMPT (0.41) MAPTPOLBRAB9AACKR3NAMPT
SCHEMBL6618471 0.87 RAB9A (0.51) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL6616573 0.86 NR1H4 (0.41) MAPTLMNANAMPTMEN1KMT2A

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
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