SCHEMBL8177147

SCHEMBL8177147

COCOc1ccc(CCSC(=O)NC(CC(=O)O)C(=O)Cn2nnc(Sc3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LTA4H P09960 1/20 0.34
FFAR1 O14842 4/20 0.33
ALDH1A1 P00352 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
SCHEMBL7680229 0.93 SMN1; SMN2 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7675970 0.90 CASP1 (0.36) MEN1KMT2ALTA4H
SCHEMBL8171648 0.89 CASP1 (0.36) MEN1KMT2ALTA4HALDH1A1SMN1; SMN2
SCHEMBL7684625 0.88 CASP1 (0.34) MEN1KMT2A
SCHEMBL8307740 0.87 ALDH1A1 (0.34) FFAR1ALDH1A1
SCHEMBL7686539 0.86 CTSA (0.34) ALDH1A1SMN1; SMN2
SCHEMBL7686237 0.86 RAB9A (0.35) MEN1KMT2AALDH1A1
SCHEMBL7678033 0.84 CASP1 (0.36) LTA4H
SCHEMBL7679637 0.84 MAPT (0.34) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7677990 0.84 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; 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 2 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 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