SCHEMBL7677914

SCHEMBL7677914

O=C(O)CC(NC(=O)SCCc1ccccc1)C(=O)Cn1nnc(Sc2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
CASP1 P29466 6/20 0.36
LTA4H P09960 3/20 0.36
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
CASP3 P42574 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL7676005 0.89 ALDH1A1 (0.40) USP2MEN1KMT2AHDAC3HDAC1
SCHEMBL7675970 0.89 CASP1 (0.36) USP2CASP1LTA4HTP53MEN1
SCHEMBL7679529 0.86 TP53 (0.36) USP2CASP1TP53MEN1KMT2A
SCHEMBL7684625 0.84 CASP1 (0.34) USP2CASP1TP53MEN1KMT2A
SCHEMBL7680236 0.84 TP53 (0.33) USP2CASP1TP53MEN1KMT2A
SCHEMBL7686211 0.83 CASP1 (0.54) CASP1
SCHEMBL7680229 0.81 SMN1; SMN2 (0.39) MEN1KMT2ASMN1; SMN2
SCHEMBL7686237 0.81 RAB9A (0.35) TP53MEN1KMT2ACASP3CYP1A2
SCHEMBL7679592 0.81 CASP1 (0.48) CASP1
SCHEMBL7683362 0.80 ALDH1A1 (0.39) CASP1TP53MEN1KMT2ACASP3

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