SCHEMBL8922882

SCHEMBL8922882

O=c1[nH]c2cc(Cl)cc([N+](=O)[O-])c2c(O)c1SCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.44
GRIN3B O60391 4/20 0.44
GRIN1 Q05586 4/20 0.44
GRIN2A Q12879 4/20 0.44
GRIN2B Q13224 4/20 0.44
GRIN2C Q14957 4/20 0.44
GRIN3A Q8TCU5 4/20 0.44
FASN P49327 1/20 0.41
GPR84 Q9NQS5 3/20 0.40
GSTP1 P09211 1/20 0.39
GSTM2 P28161 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8924304 0.87 GRIN1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8919961 0.84 GRIN1 (0.44) GRIN1GRIN2AGPR84KDM4E
SCHEMBL8920133 0.78 KDM4E (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8921234 0.78 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8921936 0.78 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8922650 0.77 MRGPRX4 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8921249 0.76 ALDH1A1 (0.36) GRIN1GRIN2AGPR84KDM4E
SCHEMBL8921240 0.76 ALDH1A1 (0.36) GRIN1GRIN2AGPR84KDM4E
SCHEMBL8923061 0.75 GRIN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8923489 0.75 KDM4E (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US claimed
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed