SCHEMBL29061925

SCHEMBL29061925

C#Cc1cccc2cc(SN)ccc12.C#Cc1cccc2ccc(N)cc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.41
PLAU P00749 1/20 0.37
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HBB P68871 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 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
SCHEMBL30579742 0.88 CYP1A1 (0.32) PLAU
SCHEMBL688709 0.85 CTDSP1 (0.53) CTDSP1PLAUALDH1A1CYP3A4HSD17B10
SCHEMBL689485 0.82 PLAU (0.53) CTDSP1PLAUALDH1A1CYP3A4HSD17B10
SCHEMBL29977356 0.82 PLAU (0.53) CTDSP1PLAUALDH1A1CYP3A4HSD17B10
SCHEMBL28989115 0.74 PLAU (0.45) CTDSP1PLAUALDH1A1CYP3A4HSD17B10
SCHEMBL5438141 0.71 CYP1B1 (0.41) PLAUALDH1A1HSD17B10CASP1HIF1A
SCHEMBL29061918 0.71 ALDH1A1 (0.34) ALDH1A1CYP3A4HSD17B10HIF1ATDP1
SCHEMBL9928987 0.69 CYP1B1 (0.40) ALDH1A1HSD17B10HIF1A
SCHEMBL689634 0.69 PTPN1 (0.39) PLAUALDH1A1CYP3A4HSD17B10TDP1
SCHEMBL29549980 0.67 CYP1A2 (0.48) ALDH1A1CYP3A4HSD17B10ALOX15HIF1A

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-111830785-B Resin composition, pattern forming method, cured film forming method, interlayer insulating film, surface protecting film, and electronic component 信越化学工业株式会社 2023-08-22 CN disclosed