SCHEMBL8307740

SCHEMBL8307740

COCOc1ccc(CCSC(=O)NC(CC(=O)O)C(=O)Cn2nnnc2Sc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 2/20 0.33
HTT P42858 2/20 0.33
USP2 O75604 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL7679414 0.93 ALDH1A1 (0.41) ALDH1A1LMNATSHRHPGDHTT
SCHEMBL7677059 0.89 ALDH1A1 (0.38) ALDH1A1LMNATSHRHPGDTP53
SCHEMBL8165543 0.89 CASP1 (0.35) ALDH1A1LMNAERCC5FEN1
SCHEMBL7675885 0.88 ALDH1A1 (0.34) ALDH1A1LMNATSHRHPGDTP53
SCHEMBL8177147 0.87 MEN1 (0.34) ALDH1A1FFAR1
SCHEMBL7687004 0.86 ALDH1A1 (0.36) ALDH1A1LMNATSHRHPGD
SCHEMBL7683953 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHPGDHTTUSP2
SCHEMBL7681897 0.83 ALDH1A1 (0.38) ALDH1A1LMNATSHRHPGDTP53
SCHEMBL7675858 0.83 ALDH1A1 (0.36) ALDH1A1LMNATSHRHPGDTP53
SCHEMBL7684617 0.83 ALDH1A1 (0.34) ALDH1A1LMNATSHRHPGD

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 1 patent. 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 disclosed