SCHEMBL6684057

SCHEMBL6684057

CCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2O)cc1C1CCC1.O=C(Nc1ccc(O)c(-c2cc(C3CCC3)n(C(=O)NCc3ccccc3F)n2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 5/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ PLCG1 P19174 1/20 0.37
▸ PLCB3 Q01970 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL6615996 0.93 HPGD (0.50) HPGDNPC1RAB9ALMNACASP3
SCHEMBL6618939 0.91 KMT2A (0.43) NPC1RAB9ALMNACASP3SENP8
SCHEMBL6620539 0.85 NPC1 (0.44) HPGDNPC1RAB9ALMNACASP3
SCHEMBL6618786 0.83 NPC1 (0.45) HPGDNPC1RAB9ALMNACASP3
SCHEMBL6651951 0.83 P2RY14 (0.41) HPGDLMNAPOLBNAMPTMAPT
SCHEMBL6614695 0.83 KMT2A (0.46) HPGDNPC1RAB9ALMNACASP3
SCHEMBL6616629 0.83 PLCG1 (0.46) HPGDNPC1RAB9ALMNACASP3
SCHEMBL6613581 0.82 NPC1 (0.47) HPGDNPC1RAB9ALMNACASP3
SCHEMBL6685333 0.82 TAS1R3 (0.43) NPC1RAB9ALMNAPLCG1PLCB3
SCHEMBL6612836 0.82 MAPT (0.46) HPGDNPC1RAB9ALMNACASP3

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 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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