SCHEMBL7985016

SCHEMBL7985016

S=C1Nc2ccccc2OC1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.45
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BRD4 O60885 2/20 0.41
NR3C1 P04150 1/20 0.40
PARP1 P09874 1/20 0.39
HPGD P15428 1/20 0.37
ALOX5 P09917 1/20 0.37
ALOX12 P18054 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CA2 P00918 1/20 0.36
CREBBP Q92793 1/20 0.36
GAA P10253 1/20 0.36
EGFR P00533 3/20 0.36
SRC P12931 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL5672871 0.86 ALDH1A1 (0.41) PGRALDH1A1MAPK1HSD17B10BRD4
SCHEMBL5670687 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1HSD17B10BRD4PARP1
SCHEMBL5670843 0.80 PARP1 (0.45) ALDH1A1MAPK1HSD17B10BRD4NR3C1
SCHEMBL7982283 0.78 EGFR (0.54) ALDH1A1MAPK1HSD17B10HPGDUSP2
SCHEMBL7988315 0.77 PARP1 (0.42) PGRALDH1A1MAPK1HSD17B10BRD4
SCHEMBL5672408 0.77 ALDH1A1 (0.40) ALDH1A1MAPK1HSD17B10BRD4NR3C1
Hydrochloric Acid SCHEMBL9427252 0.75 SLC6A2 (0.49)
SCHEMBL7988038 0.75 PGR (0.48) PGRALDH1A1MAPK1HSD17B10BRD4
SCHEMBL5672792 0.74 BRD4 (0.41) PGRALDH1A1MAPK1HSD17B10BRD4
SCHEMBL7985006 0.73 PGR (0.50) PGRALDH1A1MAPK1HSD17B10BRD4

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