SCHEMBL6616479

SCHEMBL6616479

Cc1ccccc1CNC(=O)n1nc(-c2ccc(NC(=O)C(C)C)cc2O)cc1C1CCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ PLAT P00750 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ ASAH1 Q13510 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL6617729 0.93 EPHX2 (0.37) EPHX2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL6618859 0.93 KMT2A (0.43) EPHX2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL6618110 0.91 RAB9A (0.38) EPHX2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL6617596 0.91 KDM4E (0.40) KMT2AKDM4EALDH1A1RECQLPOLB
SCHEMBL6617829 0.90 ALDH1A1 (0.39) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6615297 0.89 RAB9A (0.38) EPHX2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL6616981 0.88 GNRHR (0.41) EPHX2NPC1RAB9AL3MBTL1KMT2A
SCHEMBL6617294 0.87 SLC1A2 (0.39) RAB9AKMT2AKDM4EALDH1A1CRACR2A
SCHEMBL6618373 0.87 NPC1 (0.39) EPHX2NPC1RAB9AKMT2AKDM4E
SCHEMBL6616388 0.87 NAMPT (0.37) MAPTASAH1

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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