SCHEMBL28596137

SCHEMBL28596137

Nc1ccc2c(c1)SCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CA9 Q16790 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
EGFR P00533 1/20 0.31
TP53 P04637 1/20 0.31
ALOX15 P16050 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
SCHEMBL5306285 0.88 MAPT (0.36) MAPTKDM4EMEN1KMT2ACA9
SCHEMBL13776033 0.76 ALDH1A1 (0.38) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL21399972 0.76 ADRA2A (0.36) HPGD
SCHEMBL30917292 0.76 MAOA (0.39) HPGD
SCHEMBL7493611 0.76 MAOA (0.39) HPGD
SCHEMBL5440444 0.76 TDP1 (0.37) MEN1KMT2AHPGDALDH1A1
SCHEMBL17495034 0.74 CASP1 (0.49) MAPTKDM4EMEN1KMT2AGAA
SCHEMBL17058097 0.74
SCHEMBL9007035 0.72 TYMS (0.31) HPGD
SCHEMBL30887469 0.72 ENPP2 (0.33) KDM4EHPGDCA1CA2

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-110386926-B Organic photoelectric material containing benzo-heterocycle structure and preparation method and application thereof 武汉尚赛光电科技有限公司 2021-02-09 CN disclosed