SCHEMBL6687699

SCHEMBL6687699

CC(C)NC(=O)n1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2O)cc1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ NPC1 O15118 13/20 0.47
▸ RAB9A P51151 13/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ NFKB2 Q00653 3/20 0.47
▸ RELA Q04206 3/20 0.47
▸ PKM P14618 2/20 0.47
▸ CASP3 P42574 3/20 0.46
▸ SENP7 Q9BQF6 3/20 0.46
▸ SENP6 Q9GZR1 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45

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
SCHEMBL6688464 0.97 KMT2A (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6614695 0.95 KMT2A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6686023 0.89 NPC1 (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6617260 0.87 RAB9A (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6618305 0.87 RAB9A (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6618939 0.87 KMT2A (0.43) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6613875 0.86 RAB9A (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6614519 0.85 RAB9A (0.50) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6615036 0.85 MAPT (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6616629 0.85 PLCG1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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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