SCHEMBL9741024

SCHEMBL9741024

O=[N+]([O-])c1c(Br)cc2c[c][nH]c2c1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GPR35 Q9HC97 1/20 0.31
CYP3A4 P08684 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
SCHEMBL18510270 0.71 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9740775 0.69 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4706733 0.67 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27809787 0.64 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27711986 0.63 CYP1A2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11642626 0.63 CA1 (0.43) ALDH1A1GPR35CYP3A4
SCHEMBL6759012 0.63 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29973549 0.60 GAA (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29975369 0.60 P2RY6 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30644802 0.60 ALDH1A1 (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed