SCHEMBL9452091

SCHEMBL9452091

CCC1Oc2cc(CCCCN)ccc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PARP1 P09874 2/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CREBBP Q92793 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GAA P10253 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
SCHEMBL20169598 0.83 BRD4 (0.44) BRD4ALDH1A1MAPK1HSD17B10PARP1
SCHEMBL19423620 0.76 USP2 (0.51) BRD4HSD17B10KMT2AMEN1CREBBP
SCHEMBL24508983 0.74 BRD4 (0.44) BRD4ALDH1A1MAPK1HSD17B10KMT2A
SCHEMBL30336298 0.74 BRD4 (0.44) BRD4ALDH1A1MAPK1HSD17B10KMT2A
SCHEMBL19410329 0.73 BRD4 (0.43) BRD4ALDH1A1MAPK1HSD17B10KMT2A
SCHEMBL19432962 0.72 TP53 (0.48) BRD4ALDH1A1MAPK1HSD17B10KMT2A
SCHEMBL19419343 0.72 BRD4 (0.43) BRD4ALDH1A1MAPK1HSD17B10PARP1
SCHEMBL5518583 0.71 KMT2A (0.65) BRD4ALDH1A1MAPK1HSD17B10KMT2A
SCHEMBL3249363 0.70 PARP1 (0.62) ALDH1A1MAPK1HSD17B10PARP1KMT2A
SCHEMBL26310974 0.69 PARP1 (0.53) MAPK1HSD17B10PARP1KMT2AMEN1

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-5196434-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1993-03-23 — — US disclosed
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