SCHEMBL6618517

SCHEMBL6618517

COc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4ccc(C)cc4)ccc3O)cc2C2CCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ ACKR3 P25106 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NAMPT P43490 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 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
SCHEMBL6619787 0.94 MAPK14 (0.41) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL6620182 0.94 MAPT (0.47) KDM4EMAPTLMNAPKMPOLB
SCHEMBL6614050 0.91 GCGR (0.43) NAMPT
SCHEMBL6614784 0.91 POLB (0.41) MAPTPOLBALDH1A1
SCHEMBL6608341 0.91 POLB (0.44) KDM4EMAPTPKMPOLBACKR3
SCHEMBL6615885 0.90 NPC1 (0.47) KDM4EMAPTLMNAPOLBACKR3
SCHEMBL6617916 0.90 NAMPT (0.44) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL6618198 0.89 RAB9A (0.41) KDM4EMAPTLMNAPKMNPC1
SCHEMBL6617233 0.88 NPC1 (0.43) KDM4EMAPTLMNAPKMNPC1
SCHEMBL6613507 0.88 MAPT (0.42) KDM4EMAPTLMNAPOLBNPC1

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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