SCHEMBL7679379

SCHEMBL7679379

O=C(O)CC(NC(=O)SCc1ccccc1)C(=O)Cn1nnnc1Sc1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.36
CASP3 P42574 3/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RGS12 O14924 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
SCHEMBL7684582 0.94 ALDH1A1 (0.37) ALDH1A1TSHRHPGDCASP1CASP3
SCHEMBL7677059 0.92 ALDH1A1 (0.38) ALDH1A1TSHRHPGDCASP1CASP3
SCHEMBL7678002 0.91 ALDH1A1 (0.37) ALDH1A1TSHRHPGDCASP1CASP3
SCHEMBL7683738 0.89 ALDH1A1 (0.36) ALDH1A1TSHRHPGDCASP1CASP3
SCHEMBL7675858 0.87 ALDH1A1 (0.36) ALDH1A1TSHRHPGDCYP1A2CYP3A4
SCHEMBL7675885 0.87 ALDH1A1 (0.34) ALDH1A1TSHRHPGDCASP1CASP3
SCHEMBL7684434 0.86 ALDH1A1 (0.37) ALDH1A1TSHRHPGDCASP3CYP1A2
SCHEMBL7679820 0.86 ALDH1A1 (0.35) ALDH1A1TSHRHPGDCYP1A2CYP3A4
SCHEMBL7680995 0.86 CASP1 (0.53) CASP1CASP3
SCHEMBL7681897 0.86 ALDH1A1 (0.38) ALDH1A1TSHRHPGDCASP1CASP3

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