SCHEMBL7985286

SCHEMBL7985286

CC(C)(C)C1Oc2ccccc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.62
BRD4 O60885 2/20 0.50
CREBBP Q92793 2/20 0.49
BRPF1 P55201 1/20 0.44
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7984452 0.79 PARP1 (0.45) PARP1BRD4CREBBPTP53MAPT
SCHEMBL1451025 0.77 PARP1 (1.00) PARP1BRD4CREBBPBRPF1TP53
SCHEMBL26472774 0.76 PARP1 (0.57) PARP1TP53MAPTTHRBALDH1A1
SCHEMBL17517851 0.74 GSK3B (0.44) PARP1BRD4KMT2AMEN1
SCHEMBL19429612 0.73 PARP1 (0.62) PARP1BRD4CREBBPTP53MAPT
SCHEMBL29999040 0.73 PARP1 (0.62) PARP1BRD4CREBBPTP53MAPT
SCHEMBL7155529 0.73 PARP1 (0.62) PARP1BRD4CREBBPBRPF1TP53
SCHEMBL7121791 0.73 PARP1 (0.62) PARP1BRD4CREBBPBRPF1TP53
SCHEMBL13273256 0.73 PARP1 (0.62) PARP1BRD4CREBBPBRPF1TP53
SCHEMBL17676993 0.73 CREBBP (0.58) PARP1BRD4CREBBPBRPF1TP53

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