SCHEMBL6607824

SCHEMBL6607824

Cc1cccc(CNC(=O)n2nc(-c3cc(NC(=O)c4cnc5ccccc5n4)ccc3O)cc2C2CCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ ACKR3 P25106 1/20 0.41
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ ABCB1 P08183 2/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ASAH1 Q13510 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BRAF P15056 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
SCHEMBL6617571 0.93 NPC1 (0.43) MAPTNPC1RAB9AGAAACKR3
SCHEMBL6613271 0.93 SMN1; SMN2 (0.41) MAPTNPC1RAB9AGAAACKR3
SCHEMBL6615007 0.90 NPC1 (0.39) MAPTNPC1RAB9AGAAACKR3
SCHEMBL6616349 0.89 NPC1 (0.39) MAPTNPC1RAB9AGAAACKR3
SCHEMBL6616477 0.89 NPC1 (0.45) MAPTNPC1RAB9AGAAACKR3
SCHEMBL6615130 0.88 ABCG2 (0.42) MAPTNPC1RAB9AGAAACKR3
SCHEMBL6650207 0.87 NPC1 (0.47) MAPTNPC1RAB9AGAAACKR3
SCHEMBL6602903 0.86 NPC1 (0.40) MAPTNPC1RAB9AGAAACKR3
SCHEMBL6615270 0.86 CRACR2A (0.44) MAPTNPC1RAB9AACKR3MEN1
SCHEMBL6616425 0.85 NAMPT (0.40) MAPTNPC1RAB9AACKR3MEN1

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
Send feedback