SCHEMBL6617916

SCHEMBL6617916

CCOc1ccc(C(=O)Nc2ccc(O)c(-c3cc(C4CC4)n(C(=O)NCc4ccc(C)cc4)n3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.44
▸ MAPT P10636 6/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RPS6KA2 Q15349 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
SCHEMBL6615885 0.94 NPC1 (0.47) NAMPTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6619674 0.93 NAMPT (0.43) NAMPTMAPTMEN1KMT2ALMNA
SCHEMBL6616574 0.92 NR1H4 (0.42) NAMPTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6619787 0.90 MAPK14 (0.41) NAMPTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6619399 0.90 MAPT (0.47) NAMPTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6618517 0.90 KDM4E (0.45) NAMPTMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6614050 0.88 GCGR (0.43) NAMPT
SCHEMBL6614784 0.87 POLB (0.41) MAPTALDH1A1POLB
SCHEMBL6608341 0.87 POLB (0.44) NAMPTMAPTMEN1KMT2AALDH1A1
SCHEMBL6617914 0.86 KMT2A (0.47) MAPTMEN1KMT2ASMN1; SMN2LMNA

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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