SCHEMBL31305447

SCHEMBL31305447

Cc1[nH]c(-c2ccsc2)nc1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
BCHE P06276 2/20 0.42
ALOX5 P09917 1/20 0.41
MAPK11 Q15759 2/20 0.40
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
GCGR P47871 1/20 0.40
MAPK12 P53778 1/20 0.40
NPY5R Q15761 3/20 0.39
HPGDS O60760 1/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ENPP1 P22413 1/20 0.37
ALOX15 P16050 1/20 0.36
WNT1 P04628 1/20 0.36
TGFBR1 P36897 1/20 0.36

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
SCHEMBL14060055 1.00 NQO2 (0.43) NQO2BCHEALOX5MAPK11MAPK14
SCHEMBL31305540 0.84 MAPK14 (0.49) NQO2ALOX5MAPK11MAPK14MAPK13
SCHEMBL14060031 0.84 MAPK14 (0.49) NQO2ALOX5MAPK11MAPK14MAPK13
SCHEMBL31305435 0.84 PTGS2 (0.46) BCHEMAPK11MAPK14MAPK13MAPK12
SCHEMBL14060079 0.84 PTGS2 (0.46) BCHEMAPK11MAPK14MAPK13MAPK12
SCHEMBL5125964 0.83 NPY5R (0.55) BCHEALOX5MAPK11MAPK14MAPK13
SCHEMBL31305448 0.83 NPY5R (0.55) BCHEALOX5MAPK11MAPK14MAPK13
SCHEMBL31305547 0.82 ENPP1 (0.40) BCHEMAPK11MAPK14MAPK13MAPK12
SCHEMBL14060349 0.82 ENPP1 (0.40) BCHEMAPK11MAPK14MAPK13MAPK12
SCHEMBL14060013 0.81 NPY5R (0.54) MAPK11MAPK14MAPK13MAPK12NPY5R

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
US-20250215572-A1 SURFACE TREATMENT AGENT FOR COPPER OR COPPER ALLOY SHIKOKU CHEMICALS CORPORATION (JP) 2025-07-03 US disclosed
CN-118922584-A Surface treating agent for copper or copper alloy 四国化成工业株式会社 2024-11-08 CN disclosed