SCHEMBL21533221

SCHEMBL21533221

C=C1Cc2cc(-c3cccc(CC#N)c3Cl)ccc2N1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.37
▸ GRIA1 P42261 4/20 0.36
▸ CACNG8 Q8WXS5 4/20 0.36
▸ OTUD7B Q6GQQ9 3/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ AHR P35869 1/20 0.31
▸ HSD17B3 P37058 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL18189354 0.86 PGR (0.54) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL21533269 0.81 PGR (0.35) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL21533225 0.79 GRIA1 (0.52) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL18189617 0.71 GRIA1 (0.58) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL18189534 0.68 PGR (0.56) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL21533098 0.68 PRMT5 (0.42) PGRGRIA1CACNG8OTUD7BBRD4
SCHEMBL18189331 0.68 GRIA1 (0.50) PGRGRIA1CACNG8BRD4CREBBP
SCHEMBL26021817 0.68 AHR (0.61) PGRAHR
SCHEMBL18190651 0.68 GRIA1 (0.71) GRIA1CACNG8
SCHEMBL18189489 0.66 GRIA1 (0.50) PGRGRIA1CACNG8BRD4CREBBP

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
EP-3288935-B1 INDOLONE COMPOUNDS AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-10-30 — — EP disclosed
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