SCHEMBL6616574

SCHEMBL6616574

CCOc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CC4)n(C(=O)NCc4cccc(C)c4)n3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NAMPT P43490 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ AURKA O14965 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HTT P42858 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 2/20 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
SCHEMBL6617916 0.92 NAMPT (0.44) MAPTALDH1A1NAMPTMEN1KMT2A
SCHEMBL6616425 0.89 NAMPT (0.40) NR1H4MAPTALDH1A1NAMPTMEN1
SCHEMBL6615885 0.89 NPC1 (0.47) MAPTALDH1A1CYP1A2CYP2C9NAMPT
SCHEMBL6619399 0.88 MAPT (0.47) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6619674 0.88 NAMPT (0.43) MAPTALDH1A1CYP2C9CYP2C19NAMPT
SCHEMBL6616244 0.87 NAMPT (0.41) NR1H4MAPTALDH1A1NAMPTMEN1
SCHEMBL6677022 0.87 NAMPT (0.45) NAMPTMEN1KMT2ANPC1KDM4E
SCHEMBL6615756 0.86 NAMPT (0.42) NR1H4NAMPTNPC1AURKARAB9A
SCHEMBL6616130 0.86 ASAH1 (0.38) MAPTMEN1KMT2ANPC1HSD17B10
SCHEMBL6618968 0.86 CRACR2A (0.42) NAMPTNPC1HTTLMNARAB9A

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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