SCHEMBL6615280

SCHEMBL6615280

C=CCNC(=O)n1nc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)ccc2O)cc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.45
▸ NPC1 O15118 11/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ PKM P14618 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CASP3 P42574 6/20 0.43
▸ SENP7 Q9BQF6 6/20 0.43
▸ SENP8 Q96LD8 2/20 0.43
▸ SENP6 Q9GZR1 2/20 0.43

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
SCHEMBL6614792 0.97 RAB9A (0.43) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6616629 0.87 PLCG1 (0.46) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6614994 0.85 MAPT (0.47) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6617876 0.85 CASP3 (0.48) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6615033 0.85 RAB9A (0.44) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6618786 0.85 NPC1 (0.45) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6615684 0.84 NPC1 (0.50) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6617814 0.84 MAPT (0.48) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6615286 0.84 RAB9A (0.51) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL6613803 0.83 NPC1 (0.47) RAB9ANPC1SMN1; SMN2PKMALDH1A1

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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