SCHEMBL5317307

SCHEMBL5317307

COc1ccc(C(O)(C=O)c2cccnc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.50
RAB9A P51151 2/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP3A4 P08684 3/20 0.45
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.45
CYP3A5 P20815 2/20 0.44

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
SCHEMBL812737 0.82 CES2 (0.47) RAB9AKMT2AKDM4ENPC1
SCHEMBL4473850 0.81 CYP19A1 (0.64) CYP19A1RAB9ACYP3A4CYP3A5
SCHEMBL10952238 0.81 RAB9A (0.46) CYP19A1RAB9AKMT2APOLBCYP1A1
SCHEMBL29226497 0.80 CYP19A1 (0.53) CYP19A1RAB9AKMT2APOLBKDM4E
SCHEMBL29226492 0.80 CYP19A1 (0.53) CYP19A1RAB9AKMT2APOLBKDM4E
SCHEMBL30927957 0.80 CYP19A1 (0.53) CYP19A1RAB9AKMT2APOLBKDM4E
SCHEMBL30927949 0.80 CYP19A1 (0.53) CYP19A1RAB9AKMT2APOLBKDM4E
Bromide SCHEMBL6282386 0.79 RAB9A (0.45) CYP19A1RAB9AKMT2APOLBCYP1A1
SCHEMBL4558274 0.79 CYP19A1 (0.65) CYP19A1CYP3A4CYP3A5
SCHEMBL11627640 0.78 CYP19A1 (0.51) CYP19A1RAB9AKMT2APOLBKDM4E

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-1841747-A1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK Corporation (KR) 2007-10-10 EP disclosed
WO-2006075888-A1 OXAZOLE HYDROXAMIC ACID DERIVATIVES AND USE THEREOF SK CORPORATION (KR) 2006-07-20 WO disclosed