SCHEMBL7438818

SCHEMBL7438818

CNC(=O)c1ccc(-c2nnn(CC(=O)C(CC(=O)O)NC(=O)OCc3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CASP1 P29466 10/20 0.52
TP53 P04637 1/20 0.48
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7432175 0.92 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7429152 0.92 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7435530 0.92 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7427222 0.91 SMN1; SMN2 (0.52) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7432412 0.91 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7436207 0.90 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7439324 0.90 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7439105 0.90 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19CASP1TP53
Hydrochloric Acid SCHEMBL7441137 0.88 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7442448 0.88 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19CASP1TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US claimed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP claimed
US-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed