SCHEMBL21067445

SCHEMBL21067445

CCCCCCCc1cc2ncsc2cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.46
TYR P14679 3/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL29942328 1.00 ALOX5 (0.46) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL24868156 0.81 NPC1 (0.42) MAPTMEN1HTTKMT2ATDP1
SCHEMBL8980140 0.76 NPC1 (0.44) TDP1KDM4E
SCHEMBL4879945 0.75 ALOX5 (0.68) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL2348704 0.75 ALOX5 (0.68) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL7516859 0.75 ALOX5 (0.68) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL8942889 0.75 ALOX5 (0.68) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL2344847 0.75 ALOX5 (0.68) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL8589296 0.75 ALOX5 (0.68) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL325823 0.75 ALOX5 (0.68) ALOX5TYRCYP3A4MAPTMEN1

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
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed