SCHEMBL31305507

SCHEMBL31305507

Cc1[nH]c(-c2ccsc2)nc1-c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
TEK Q02763 3/20 0.43
ALOX5 P09917 1/20 0.43
NPY5R Q15761 5/20 0.42
HPGDS O60760 1/20 0.42
SMPD3 Q9NY59 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NQO2 P16083 1/20 0.40
IKBKB O14920 1/20 0.39
CSNK1D P48730 1/20 0.37
MAPK11 Q15759 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL14060041 1.00 MAPK14 (0.47) MAPK14TEKALOX5NPY5RHPGDS
SCHEMBL14060013 0.84 NPY5R (0.54) MAPK14NPY5RHPGDSSMPD3MAPK9
SCHEMBL14333861 0.84 NPY5R (0.44) NPY5RHPGDSSMPD3
SCHEMBL2944563 0.83 NPY5R (0.59) MAPK14TEKALOX5NPY5RHPGDS
SCHEMBL31305477 0.83 NPY5R (0.59) MAPK14TEKALOX5NPY5RHPGDS
SCHEMBL31305473 0.83 MAPK14 (0.58) MAPK14TEKALOX5MAPK9MAPK11
SCHEMBL14060415 0.83 MAPK14 (0.58) MAPK14TEKALOX5MAPK9MAPK11
SCHEMBL14334220 0.81 NPY5R (0.57) MAPK14NPY5RHPGDSSMPD3MAPK9
SCHEMBL14060066 0.81 RAF1 (0.45) MAPK14NPY5RHPGDSSMPD3PDGFRB
SCHEMBL14059771 0.80 NPY5R (0.63) MAPK14ALOX5NPY5RHPGDSSMPD3

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