SCHEMBL7685015

SCHEMBL7685015

O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)Cn1nnc(-c2ccncc2)n1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
CASP1 P29466 14/20 0.53
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52
USP2 O75604 1/20 0.52
TP53 P04637 1/20 0.48
LTA4H P09960 2/20 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
Hydrochloric Acid SCHEMBL7696612 0.99 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19CASP1PKM
SCHEMBL7435530 0.95 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7429152 0.93 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7432412 0.90 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7440449 0.89 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19CASP1HTT
SCHEMBL7439324 0.88 CYP1A2 (0.54) CYP1A2CYP2C9CYP2C19CASP1HTT
SCHEMBL8178727 0.88 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7426313 0.87 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CASP1
SCHEMBL7438818 0.87 CYP1A2 (0.53) CYP1A2CYP2C9CYP2C19CASP1TP53
SCHEMBL7440223 0.87 CYP1A2 (0.49) 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-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US claimed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP claimed
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0900791-A1 TETRAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 1999-03-10 EP disclosed