SCHEMBL7683362

SCHEMBL7683362

O=C(O)CC(NC(=O)SCCc1ccccc1)C(=O)Cn1nnnc1Sc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CASP1 P29466 6/20 0.36
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
CASP3 P42574 1/20 0.34
HPGD P15428 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
NPC1 O15118 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
SCHEMBL8171631 0.89 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TSHRMAPK1
Hydrochloric Acid SCHEMBL7694441 0.88 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL7677059 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TSHRTP53
SCHEMBL7682128 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TSHRTP53
SCHEMBL7681897 0.87 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1TSHRTP53
SCHEMBL7678219 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1TSHRMAPK1
SCHEMBL7686260 0.83 CASP1 (0.54) CASP1
SCHEMBL7675885 0.83 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1TSHRTP53
SCHEMBL7686151 0.83 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1TSHRTP53
SCHEMBL7679414 0.81 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1CYP3A4CYP2C9

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