SCHEMBL11550362

SCHEMBL11550362

CN1C(=O)CC(=O)Nc2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.54
CMA1 P23946 1/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
ALOX12 P18054 2/20 0.54
OPRK1 P41145 2/20 0.49
PDE4D Q08499 1/20 0.49
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
TSPO P30536 1/20 0.42
PKM P14618 1/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 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
SCHEMBL11806643 0.81 MEN1 (0.48) AHRCMA1MEN1KMT2AMAPT
SCHEMBL11813352 0.81 MEN1 (0.55) AHRCMA1MEN1KMT2AMAPT
SCHEMBL11800662 0.81 KMT2A (0.50) AHRCMA1MEN1KMT2AMAPT
SCHEMBL11812432 0.81 MEN1 (0.50) AHRCMA1MEN1KMT2AMAPT
SCHEMBL11806756 0.79 MEN1 (0.46) AHRCMA1MEN1KMT2AMAPT
SCHEMBL11553211 0.79 PDE3B (0.52) MEN1KMT2AMAPTLMNACCNB2
SCHEMBL11483378 0.79 KMT2A (0.76) AHRCMA1MEN1KMT2AMAPT
SCHEMBL11806665 0.79 MEN1 (0.48) AHRCMA1MEN1KMT2AMAPT
SCHEMBL11810776 0.78 NR1H2 (0.45) MEN1KMT2AMAPTLMNAGAA
SCHEMBL11804090 0.78 CASP3 (0.49) MAPTGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3984398-A 1,5-Benzodiazepine-2,4-diones ROUSSEL-UCLAF (FR) 1976-10-05 US claimed
US-4138572-A Malonanilic derivatives ROUSSEL UCLAF (FR) 1979-02-06 US disclosed
US-4001408-A SUBSTITUTED HETEROCYCLIC COMPOUNDS, PROCESSES AND COMPOSITION INCLUDING THOSE ROUSSEL-UCLAF (FR) 1977-01-04 US disclosed
US-3984398-A 1,5-Benzodiazepine-2,4-diones ROUSSEL-UCLAF (FR) 1976-10-05 US disclosed
US-RE28972-E SEDATIVES, ANTICONVULSANTS BOEHRINGER INGELHEIM GMBH (DT) 1976-09-21 US disclosed