SCHEMBL29020501

SCHEMBL29020501

C=Cc1cccc(CSC(=S)c2ccccc2)c1.CC(C)(SC(=S)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.31
AR P10275 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
S1PR2 O95136 1/20 0.30
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL30471624 1.00 TDP1 (0.32) TDP1L3MBTL1KMT2AARMRGPRX4
SCHEMBL164262 0.82 CA12 (0.39) TDP1LMNAIDO1
SCHEMBL163804 0.78 KMT2A (0.41) L3MBTL1KMT2ALMNAHTTNPSR1
SCHEMBL165630 0.72 CES2 (0.39) L3MBTL1KMT2ALMNA
SCHEMBL1524290 0.71 EPHX1 (0.40) TDP1L3MBTL1KMT2ALMNA
SCHEMBL7584270 0.69 L3MBTL1 (0.54) TDP1L3MBTL1KMT2ALMNAHTT
SCHEMBL29060727 0.69 L3MBTL1 (0.54) TDP1L3MBTL1KMT2ALMNAHTT
SCHEMBL161425 0.69 CA1 (0.42) TDP1L3MBTL1S1PR3LMNAIDO1
SCHEMBL2045957 0.69 CA12 (0.46) TDP1L3MBTL1IDO1
Thiobenzoic Acid SCHEMBL29020503 0.68 MRGPRX4 (0.32) MRGPRX4HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116323785-A Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2023-06-23 CN disclosed
CN-116323784-A Rubber composition, sulfide, and vulcanized molded article 电化株式会社 2023-06-23 CN disclosed