SCHEMBL7682121

SCHEMBL7682121

O=C(O)CC(NC(=O)COc1ccccc1)C(=O)Cn1nnc(Cc2c(Cl)cccc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CASP3 P42574 1/20 0.38

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
SCHEMBL8171121 0.90 ALDH1A1 (0.48) CASP1KDM4EPOLBCTDSP1TDP1
SCHEMBL7683594 0.85 CNR2 (0.40) CASP1CNR2CASP3
SCHEMBL7679948 0.84 HDAC6 (0.42) CASP1POLBSMN1; SMN2CNR2CASP3
SCHEMBL7686815 0.84 CASP3 (0.40) CASP1POLBSMN1; SMN2CNR2MEN1
SCHEMBL7680872 0.83 CASP1 (0.49) CASP1CNR2CASP3
SCHEMBL7683929 0.82 CASP1 (0.58) CASP1CASP3
SCHEMBL7679388 0.81 CNR2 (0.40) CASP1POLBCNR2MEN1KMT2A
SCHEMBL7681033 0.81 CNR2 (0.40) CASP1CNR2MEN1KMT2ACASP3
SCHEMBL7685907 0.81 CASP1 (0.50) CASP1CNR2CASP3
SCHEMBL7680032 0.81 CASP1 (0.48) CASP1CNR2CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6136834-A TETRAZOLE PEPTIDES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 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-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