SCHEMBL7684582

SCHEMBL7684582

O=C(O)CC(NC(=O)SCc1ccccc1)C(=O)Cn1nnnc1Sc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TSHR P16473 4/20 0.37
HPGD P15428 2/20 0.37
CASP1 P29466 2/20 0.36
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
CASP3 P42574 5/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CASP8 Q14790 3/20 0.33
KDM4E B2RXH2 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
SCHEMBL7679379 0.94 ALDH1A1 (0.38) ALDH1A1TSHRHPGDCASP1MAPK1
SCHEMBL7681897 0.92 ALDH1A1 (0.38) ALDH1A1TSHRHPGDCASP1MAPK1
SCHEMBL7678002 0.89 ALDH1A1 (0.37) ALDH1A1TSHRHPGDCASP1MAPK1
SCHEMBL7683738 0.87 ALDH1A1 (0.36) ALDH1A1TSHRHPGDCASP1MAPK1
SCHEMBL7686487 0.86 CASP1 (0.53) CASP1CASP3
SCHEMBL7677059 0.86 ALDH1A1 (0.38) ALDH1A1TSHRHPGDCASP1MAPK1
SCHEMBL7685090 0.83 CASP1 (0.37) CASP1TP53CASP3CASP8CASP7
SCHEMBL7684926 0.83 CASP3 (0.37) ALDH1A1TSHRHPGDCASP1LMNA
SCHEMBL8171557 0.82 ALDH1A1 (0.35) ALDH1A1TSHRHPGDCASP1LMNA
Hydrochloric Acid SCHEMBL8176793 0.81 UBE2M (0.35) ALDH1A1TSHRHPGDCASP1LMNA

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