SCHEMBL7639396

SCHEMBL7639396

N#Cc1c(F)ccc2c1NC(=O)CO2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 11/20 0.40
MMP12 P39900 1/20 0.39
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 1/20 0.36
GRM5 P41594 1/20 0.36
PGR P06401 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4095480 0.79 MMP12 (0.44) NR3C2MMP12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8201930 0.79 NR3C2 (0.42) NR3C2MMP12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8487320 0.74 NR3C2 (0.40) NR3C2MMP12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8182884 0.73 NR3C2 (0.51) NR3C2MMP12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3489518 0.72 NR3C2 (0.47) NR3C2MMP12ALDH1A1PARP1GRM5
SCHEMBL20125045 0.72 NR3C2 (0.44) NR3C2MMP12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL15053068 0.71 DRD2 (0.43) NR3C2MMP12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL14080066 0.70 MMP12 (0.49) NR3C2MMP12KMT2ASMN1; SMN2PARP1
SCHEMBL8182873 0.70 NR3C2 (0.42) NR3C2MMP12ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4100343 0.68 DRD2 (0.40) NR3C2MMP12ALDH1A1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625982-B1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS UPJOHN CO (US) 2002-06-12 EP disclosed
US-5610158-A ANXIOLYTIC AGENTS, SEDATIVES THE UPJOHN COMPANY (US) 1997-03-11 US disclosed
EP-0625982-A1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS PHARMACIA & UPJOHN COMPANY (US) 1994-11-30 EP disclosed
WO-1993016082-A1 4-OXO- AND 4H-IMIDAZO(5,1-C)(1,4)BENZOXAZINES USEFUL AS BENZODIAZEPINE RECEPTOR-BINDING AGENTS THE UPJOHN COMPANY (US) 1993-08-19 WO disclosed