SCHEMBL28081048

SCHEMBL28081048

Nc1ccc2c(c1)C(C=O)c1ccccc1S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
BLM P54132 2/20 0.41
MAPT P10636 1/20 0.41
NOX1 Q9Y5S8 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 3/20 0.34
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 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
SCHEMBL8910760 0.84 CYP2D6 (0.40) MEN1KMT2AMAPTNOX1ADRA2A
SCHEMBL28258301 0.80 KMT2A (0.38) MEN1KMT2AALDH1A1HSD17B10CYP2D6
SCHEMBL27838176 0.80 LMNA (0.41) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL29011113 0.80 RAB9A (0.36) MEN1KMT2AMAPTALDH1A1CYP2D6
SCHEMBL28166968 0.80 DRD2 (0.44) MEN1KMT2AMAPTNOX1ADRA2A
SCHEMBL30207806 0.76 CYBB (0.48) MEN1KMT2ABLMMAPTNOX1
SCHEMBL28258220 0.76 CYP2D6 (0.37) MAPTHTR2CL3MBTL1ALDH1A1CYP2D6
SCHEMBL28973304 0.76 CYBB (0.48) MEN1KMT2ABLMMAPTNOX1
SCHEMBL27607383 0.76 NOX1 (0.36) MEN1KMT2AMAPTNOX1HTR2C
SCHEMBL8518637 0.76 ALDH1A1 (0.44) MEN1KMT2ABLMMAPTHTR2B

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-105683225-A Polymerizable monomer, polymer compound, photocurable resin composition, sealing element for liquid crystal display element, vertical conduction material, and liquid crystal display element 积水化学工业株式会社 2016-06-15 CN disclosed