SCHEMBL7988038

SCHEMBL7988038

CCCCC1Oc2ccccc2NC1=S

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.48
NR3C1 P04150 6/20 0.48
AR P10275 5/20 0.48
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 3/20 0.41
PARP1 P09874 1/20 0.41
BRD4 O60885 2/20 0.40
USP2 O75604 1/20 0.40
CREBBP Q92793 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
HPGD P15428 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
SCHEMBL7985006 0.94 PGR (0.50) PGRNR3C1ARHSD17B10ALDH1A1
SCHEMBL7988315 0.91 PARP1 (0.42) PGRNR3C1ARHSD17B10ALDH1A1
SCHEMBL5670843 0.84 PARP1 (0.45) NR3C1HSD17B10ALDH1A1PARP1BRD4
SCHEMBL5670690 0.82 PARP1 (0.55) HSD17B10ALDH1A1PARP1BRD4USP2
SCHEMBL5672408 0.81 ALDH1A1 (0.40) NR3C1HSD17B10ALDH1A1PARP1BRD4
SCHEMBL5672792 0.81 BRD4 (0.41) PGRNR3C1ARHSD17B10ALDH1A1
SCHEMBL5672871 0.80 ALDH1A1 (0.41) PGRHSD17B10ALDH1A1PARP1BRD4
SCHEMBL5670684 0.77 HSD17B10 (0.53) PGRHSD17B10ALDH1A1PARP1BRD4
SCHEMBL7985016 0.75 PGR (0.45) PGRNR3C1HSD17B10ALDH1A1PARP1
SCHEMBL7982283 0.73 EGFR (0.54) HSD17B10ALDH1A1USP2MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191127-B1 ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISEASES, CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed