SCHEMBL6554510

SCHEMBL6554510

CC(=O)Nc1ccc2c(=O)onc(C)c2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.52
PGR P06401 6/20 0.52
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
NR3C2 P08235 4/20 0.48
AR P10275 3/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ESR1 P03372 1/20 0.46
HPGD P15428 1/20 0.46
ELANE P08246 1/20 0.45
MAP2K1 Q02750 1/20 0.45

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
SCHEMBL6692378 0.89 NR3C1 (0.50) NR3C1PGRNR3C2AR
SCHEMBL6689551 0.85 NR3C1 (0.52) NR3C1PGRNR3C2ARALDH1A1
SCHEMBL4025539 0.82 CA12 (0.55) CA12CA1CA9KDM4EALDH1A1
SCHEMBL17307543 0.82 CA12 (0.48) CA12CA1CA9KDM4EALDH1A1
SCHEMBL4163146 0.80 NR3C1 (0.53) NR3C1PGRNR3C2AR
SCHEMBL6688760 0.80 NR3C1 (0.60) NR3C1PGRNR3C2AR
SCHEMBL4176230 0.79 NR3C1 (0.46) NR3C1PGRNR3C2AR
SCHEMBL4278672 0.79 NR3C1 (0.52) NR3C1PGRNR3C2AR
SCHEMBL4167078 0.79 NR3C1 (0.47) NR3C1PGRNR3C2AR
SCHEMBL4173498 0.79 NR3C1 (0.49) NR3C1PGRNR3C2ARKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133486-B1 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AG (DE) 2004-12-22 EP disclosed
US-6323199-B1 AROMATIC HETEROCYCLIC HYDROXY AMINES OR AMIDES FOR TREATMENT OF INFLAMMATION SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-27 US disclosed
EP-1133486-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032584-A2 NONSTEROIDAL ANTIINFLAMMATORIES SCHERING AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed