SCHEMBL9779136

SCHEMBL9779136

C=Cn1c(=S)sc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.36
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 3/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PAX8 Q06710 1/20 0.35
TRPM5 Q9NZQ8 1/20 0.35
CHEK1 O14757 1/20 0.33
PDGFRA P16234 1/20 0.33
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 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
SCHEMBL19546228 0.81 ALDH1A1 (0.38) F12ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL6366188 0.78 L3MBTL1 (0.47) ALDH1A1CYP1A2L3MBTL1KDM4EPKM
SCHEMBL6910808 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL19902480 0.73 LMNA (0.44) F12ALDH1A1CYP1A2L3MBTL1KDM4E
SCHEMBL11076335 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL11076331 0.73 ALDH1A1 (0.42) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1
SCHEMBL230331 0.69 F12 (0.59) F12ALDH1A1CYP1A2L3MBTL1KDM4E
SCHEMBL13657451 0.69 ALDH1A1 (0.40) F12ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL28154016 0.67 L3MBTL1 (0.47) ALDH1A1CYP1A2L3MBTL1KDM4EPKM
SCHEMBL14922869 0.66 L3MBTL1 (0.50) ALDH1A1HSD17B10CYP1A2HPGDL3MBTL1

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
JP-3041110-A None JP disclosed
JP-H0341110-A HIGH-REFRACTIVE INDEX OPTICAL RESIN NIPPON OIL & FATS CO LTD 1991-02-21 JP disclosed