SCHEMBL6617729

SCHEMBL6617729

Cc1ccccc1CNC(=O)n1nc(-c2cc(NC(=O)C(C)C)ccc2O)cc1C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ PLAT P00750 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ ASAH1 Q13510 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CRACR2A Q9BSW2 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GNRHR P30968 1/20 0.33

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
SCHEMBL6616479 0.93 EPHX2 (0.38) EPHX2NPC1RAB9AKMT2APLAT
SCHEMBL6618495 0.90 GNRHR (0.40) EPHX2NPC1RAB9AKMT2AKDM4E
SCHEMBL6618430 0.90 ALDH1A1 (0.38) NPC1RAB9AKDM4EALDH1A1CASP3
SCHEMBL6630940 0.89 KMT2A (0.41) EPHX2NPC1RAB9AKMT2APLAT
SCHEMBL6619186 0.89 MEN1 (0.38) EPHX2NPC1RAB9AKMT2APLAT
SCHEMBL6617721 0.88 EPHX2 (0.39) EPHX2NPC1RAB9AKMT2APLAT
SCHEMBL6619748 0.88 ALDH1A1 (0.38) EPHX2NPC1RAB9AKMT2AKDM4E
SCHEMBL6616726 0.88 SLC1A2 (0.38) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL6603910 0.87 NAMPT (0.42) EPHX2KDM4ECRACR2APOLB
SCHEMBL6617181 0.87 KDM4E (0.37) NPC1RAB9AKMT2AKDM4EALDH1A1

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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