SCHEMBL28512785

SCHEMBL28512785

Cc1c(S(C)(=O)=O)ccc(C=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CCR2 P41597 7/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.34
EPAS1 Q99814 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD11B1 P28845 1/20 0.31

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
SCHEMBL9343399 0.78 L3MBTL1 (0.44) L3MBTL1CCR2ALDH1A1EPAS1TSHR
SCHEMBL31453874 0.78 L3MBTL1 (0.44) L3MBTL1CCR2ALDH1A1EPAS1TSHR
SCHEMBL9712600 0.75 ALDH1A1 (0.43) TDP1ALDH1A1TSHRCYP2C19CYP1A2
SCHEMBL6015172 0.75 TDP1 (0.45) L3MBTL1TDP1ALDH1A1TSHRCYP2C19
SCHEMBL9448525 0.74 CCR2 (0.40) L3MBTL1CCR2ALDH1A1EPAS1HSD11B1
SCHEMBL27440247 0.74 L3MBTL1 (0.37) L3MBTL1CCR2ALDH1A1EPAS1TSHR
SCHEMBL2600014 0.73 TDP1 (0.53) CCR2TDP1ALDH1A1
SCHEMBL29954698 0.72 TDP1 (0.42) TDP1ALDH1A1TSHRCYP2C19CYP1A2
SCHEMBL20742678 0.72 TDP1 (0.38) TDP1ALDH1A1TSHRCYP2C19CYP1A2
SCHEMBL21121085 0.72 TDP1 (0.42) TDP1ALDH1A1TSHRCYP2C19CYP1A2

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
CN-112236428-A Antiproliferative compounds and uses thereof 默克专利股份有限公司 2021-01-15 CN disclosed