SCHEMBL8921993

SCHEMBL8921993

O=C(O)C(CCc1ccccc1)Sc1c(O)c2ccc(Cl)cc2[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL8921911 0.89
SCHEMBL8920155 0.81 KDM4E (0.54) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8920133 0.78 KDM4E (0.51) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8920123 0.78 KDM4E (0.52) MEN1ALDH1A1MAPTKMT2A
SCHEMBL8921443 0.74 MAPT (0.67) MEN1ALDH1A1MAPTKMT2A
SCHEMBL7461224 0.74 GRIN2D (0.53) MEN1KMT2A
SCHEMBL7458373 0.72 MAPK1 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL8920158 0.70 GRIN2D (0.47)
SCHEMBL7457248 0.70 CYP1A2 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL27486624 0.70 CYP1A2 (0.50) MEN1ALDH1A1MAPTKMT2A

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