SCHEMBL6619520

SCHEMBL6619520

O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NC3CC3)n2)c1)c1cnc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ACKR3 P25106 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL6613271 0.86 SMN1; SMN2 (0.41) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL6650207 0.85 NPC1 (0.47) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL6602903 0.84 NPC1 (0.40) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL6616349 0.83 NPC1 (0.39) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL6616477 0.83 NPC1 (0.45) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL6617571 0.83 NPC1 (0.43) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL6615007 0.83 NPC1 (0.39) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL6607824 0.82 MAPT (0.42) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL6604001 0.82 TMIGD3 (0.42) RAB9AMAPTGAAKDM4EMEN1
SCHEMBL6615130 0.82 ABCG2 (0.42) RAB9ANPC1MAPTGAAACKR3

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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