SCHEMBL8921828

SCHEMBL8921828

COC(=O)CSc1c(O)c2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 2/20 0.48
PRNP P04156 1/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL8925163 0.88 ALDH1A1 (0.62) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8920754 0.88 ALDH1A1 (0.48) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8921245 0.85 GRIN2D (0.49) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8921443 0.85 MAPT (0.67) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8921390 0.80 KDM4E (0.67) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8921130 0.77 MAPT (0.50) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8919874 0.77 GSK3B (0.55) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8920123 0.77 KDM4E (0.52) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8922153 0.76 GRIN2D (0.47) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8920155 0.76 KDM4E (0.54) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A

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