SCHEMBL31350338

SCHEMBL31350338

Cc1ncsc1COc1ccc2sc(C)c(C(N)=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.39
PARP15 Q460N3 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EDNRA P25101 1/20 0.37
ICAM1 P05362 2/20 0.37
SELE P16581 2/20 0.37
VCAM1 P19320 1/20 0.37
IKBKB O14920 2/20 0.36
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARD Q03181 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
PPARA Q07869 1/20 0.34
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL30656161 0.90 EDNRA (0.40) EDNRAPOLBFFAR1PPARDPPARA
SCHEMBL26661122 0.90 EDNRA (0.40) EDNRAPOLBFFAR1PPARDPPARA
SCHEMBL30656165 0.87 ALDH1A1 (0.40) NPC1RAB9APOLBSMN1; SMN2L3MBTL1
SCHEMBL30656117 0.87 MEN1 (0.37) EDNRAICAM1SELEL3MBTL1FFAR1
SCHEMBL26661121 0.87 ALDH1A1 (0.40) NPC1RAB9APOLBSMN1; SMN2L3MBTL1
SCHEMBL30656219 0.85 ALDH1A1 (0.34) PARP10PARP15NPC1RAB9AEDNRA
SCHEMBL30656238 0.85 HPGDS (0.35) NPC1RAB9AEDNRAICAM1SELE
SCHEMBL26792632 0.85 ALDH1A1 (0.34) PARP10PARP15NPC1RAB9AEDNRA
SCHEMBL30656162 0.85 HPGDS (0.35) NPC1RAB9AEDNRAICAM1SELE
SCHEMBL30656033 0.84 NPC1 (0.33) PARP10PARP15NPC1RAB9AEDNRA

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-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN claimed
CN-119421879-A Novel derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2025-02-11 CN disclosed