SCHEMBL7675664

SCHEMBL7675664

O=C(O)CC(NC(=O)OCCc1ccccn1)C(=O)Cn1nnnc1Cc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.41
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 1/20 0.34
CASP3 P42574 1/20 0.34
DOT1L Q8TEK3 1/20 0.34
TP53 P04637 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7680016 0.89 CASP1 (0.48) CASP1KDM4CCASP3
SCHEMBL7686569 0.86 CASP1 (0.47) CASP1NPC1RAB9ACASP3RECQL
SCHEMBL7683677 0.85 CASP1 (0.50) CASP1CASP3
SCHEMBL7686951 0.85 CASP1 (0.46) CASP1CASP3
SCHEMBL7678093 0.85 CASP1 (0.42) CASP1KDM4CCASP3DOT1L
SCHEMBL7682065 0.85 CASP1 (0.40) CASP1KDM4CMEN1KMT2AP2RX7
SCHEMBL7683292 0.84 CASP1 (0.58) CASP1CASP3
SCHEMBL7683927 0.84 CASP1 (0.41) CASP1MEN1NPC1RAB9AKMT2A
SCHEMBL8171644 0.83 CASP1 (0.41) CASP1KDM4CCASP3SMN1; SMN2
SCHEMBL8178640 0.83 CASP1 (0.40) CASP1MEN1KMT2ACASP3SMN1; SMN2

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
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-6376484-B1 FOR PREVENTION AND/OR TREATMENT OF VARIOUS KINDS OF INFLAMMATORY DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-23 US disclosed
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