SCHEMBL9401116

SCHEMBL9401116

CC(=O)N1CCc2c([nH]c3cccc(Br)c23)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 9/20 0.54
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ TRPV1 Q8NER1 5/20 0.51
▸ GPX4 P36969 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ CDK4 P11802 3/20 0.43
▸ CCND1 P24385 3/20 0.43

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
SCHEMBL6481710 0.82 TRPV1 (0.45) BAZ2BLMNAMAPTTRPV1GPX4
SCHEMBL2724003 0.79 LMNA (0.80) BAZ2BLMNAMAPTTRPV1GPX4
SCHEMBL6473473 0.78 LMNA (0.44) BAZ2BLMNAMAPTTRPV1CDK4
SCHEMBL6475935 0.77 PARP1 (0.43) BAZ2BLMNAMAPTTRPV1
SCHEMBL4008584 0.74 NOTUM (0.61) BAZ2BLMNAMAPT
SCHEMBL11499238 0.73 BAZ2B (0.52) BAZ2BLMNAMAPTTRPV1CDK4
SCHEMBL5373325 0.73 GPX4 (0.49) TRPV1GPX4FAAHCDK4CCND1
SCHEMBL5376729 0.73 CDK4 (0.54) TRPV1GPX4FAAHCDK4CCND1
SCHEMBL1000958 0.71 LMNA (0.71) BAZ2BLMNAMAPTTRPV1GPX4
SCHEMBL12269322 0.71 NOTUM (0.61) BAZ2BLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5314908-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1994-05-24 — — US disclosed
US-5206377-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1993-04-27 — — US disclosed
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