SCHEMBL6618939

SCHEMBL6618939

CCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2O)cc1C1CCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ MAPT P10636 7/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NFKB1 P19838 2/20 0.43
▸ NFKB2 Q00653 2/20 0.43
▸ RELA Q04206 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ PLCB3 Q01970 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL6614695 0.92 KMT2A (0.46) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6684057 0.91 HPGD (0.43) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6616629 0.88 PLCG1 (0.46) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6619183 0.88 NAMPT (0.40) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6687699 0.87 KMT2A (0.48) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6615033 0.86 RAB9A (0.44) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6613283 0.86 NPC1 (0.47) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6616661 0.86 NPC1 (0.47) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6688464 0.86 KMT2A (0.48) KMT2AMEN1RAB9AMAPTNPC1
SCHEMBL6613803 0.84 NPC1 (0.47) KMT2AMEN1RAB9AMAPTNPC1

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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