SCHEMBL7984345

SCHEMBL7984345

CC1Oc2ccc(Cl)cc2NC1=S

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
CHRM1 P11229 5/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PARP1 P09874 3/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
AHR P35869 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL7988135 0.81 BRD4 (0.53) HSD17B10SMN1; SMN2PARP1BRD4CREBBP
SCHEMBL7711230 0.80 PARP1 (0.37) CHRM1PARP1BRD4CREBBPAHR
SCHEMBL7000474 0.80 PARP1 (0.37) SMN1; SMN2PARP1BRD4CREBBPPDE3B
SCHEMBL5670852 0.80 PARP1 (0.60) HSD17B10TP53POLBSMN1; SMN2PARP1
SCHEMBL7981172 0.78 PARP1 (0.35) HSD17B10PARP1BRD4CREBBPPDE3B
SCHEMBL6998842 0.76 ACE2 (0.40) HSD17B10CHRM1PARP1BRD4CREBBP
SCHEMBL6995122 0.76 ABCB1 (0.38) PGRPARP1BRD4CREBBPPDE3B
SCHEMBL7000985 0.76 KDM4E (0.54) CHRM1NR3C1PGRPARP1PDE3B
SCHEMBL6996429 0.74 ALDH1A1 (0.40) HSD17B10CHRM1NR3C1PGRAR
SCHEMBL7710980 0.74 ALDH1A1 (0.52) HSD17B10SMN1; SMN2PARP1

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 3 patents. 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
US-6008218-A FUNGICIDES; CHEMICAL INTERMEDIATES UBE INDUSTRIES, LTD. (JP) 1999-12-28 US disclosed
EP-0913395-A1 N-PHENYLCARBAMATE COMPOUNDS, PROCESS FOR PRODUCING THE SAME, AND AGRICULTURAL OR HORTICULTURAL BACTERICIDES UBE INDUSTRIES, LTD. (JP) 1999-05-06 EP disclosed