SCHEMBL8922153

SCHEMBL8922153

COC(=O)CS(=O)(=O)c1c(O)c2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.47
GRIN3B O60391 2/20 0.47
GRIN1 Q05586 2/20 0.47
GRIN2A Q12879 2/20 0.47
GRIN2B Q13224 2/20 0.47
GRIN2C Q14957 2/20 0.47
GRIN3A Q8TCU5 2/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL8922416 0.85 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8921828 0.76 ALDH1A1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27486624 0.74 CYP1A2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30037913 0.74 MEN1 (0.64) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8018550 0.74 MEN1 (0.64) MEN1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL8920754 0.72 ALDH1A1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8543110 0.71 EGFR (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6701555 0.70 EGFR (0.47) ALDH1A1
SCHEMBL8142770 0.68 KDM5A (0.62)
SCHEMBL8784597 0.68 CYP1A2 (0.74) MEN1CYP1A2CYP3A4CYP2D6KMT2A

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