SCHEMBL9523208

SCHEMBL9523208

Cn1c(=O)[nH]c2cccc(Cl)c2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 3/20 0.66
ERCC5 P28715 1/20 0.66
ADORA3 P0DMS8 2/20 0.54
ADORA2B P29275 2/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
PSMB8 P28062 1/20 0.44
PGR P06401 1/20 0.43
CHEK1 O14757 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA1B P35368 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42

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
SCHEMBL9523187 0.81 ADORA3 (0.56) FEN1ERCC5ADORA3ADORA2BADORA2A
SCHEMBL10505672 0.79 ADORA2B (0.54) FEN1ERCC5ADORA3ADORA2BADORA2A
SCHEMBL4217860 0.79 CA12 (0.66) FEN1ERCC5ADORA3ADORA2BADORA2A
SCHEMBL10507746 0.79 FEN1 (0.66) FEN1ERCC5ADORA3ADORA2BADORA2A
SCHEMBL6400184 0.79 FEN1 (0.66) FEN1ERCC5CHEK1KDM4EALDH1A1
SCHEMBL9523839 0.79 FEN1 (0.66) FEN1ERCC5ADORA3ADORA2BADORA2A
SCHEMBL18687484 0.79 FEN1 (1.00) FEN1ERCC5GRIN2DGRIN3BGRIN1
SCHEMBL10507203 0.79 FEN1 (0.60) FEN1ERCC5ADORA3ADORA2BPGR
SCHEMBL10507086 0.78 ERCC5 (0.59) FEN1ERCC5ADRA1B
SCHEMBL25237240 0.77 CA12 (0.46) FEN1ERCC5ADORA3ADORA2BADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283162-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-08-11 EP disclosed
US-4902686-A Tricyclic heterocyclic compounds and their use in treating benzodiazepin receptor-related ailments A/S FERROSAN (DK) 1990-02-20 US disclosed
US-4873244-A AILMENTS ASSOCIATED WITH BENZODIAZEPINE RECEPTORS A/S FERROSAN (DK) 1989-10-10 US disclosed
EP-0226282-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE A/S FERROSAN (DK) 1989-07-05 EP disclosed
US-4780539-A ANTICONVULSANTS, ANXIOLYTIC AGENTS A/S FERROSAN (DK) 1988-10-25 US disclosed
EP-0283162-A2 Heterocyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1988-09-21 EP disclosed
US-4771051-A CENTRAL NERVOUS SYSTEM DISORDERS A/S FERROSAN (DK) 1988-09-13 US disclosed
EP-0274009-A1 Oxadiazolylacetonitriles, their preparation and use NOVO NORDISK A/S (DK) 1988-07-13 EP disclosed
EP-0226282-A2 Heterocyclic compounds and their preparation and use A/S FERROSAN (DK) 1987-06-24 EP disclosed