SCHEMBL5134313

SCHEMBL5134313

Nc1ccc2c(c1O)Cc1ccccc1S2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 3/20 0.41
KDM4E B2RXH2 2/20 0.41
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
PNMT P11086 1/20 0.30
LIMK1 P53667 1/20 0.30

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
SCHEMBL4932469 0.83 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL5606116 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL88254 0.79 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL2762892 0.75 MEN1 (0.37) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL11197287 0.75 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL15738070 0.73 MEN1 (0.41) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL20543285 0.71 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
Thioxanthene SCHEMBL8717 0.71 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
Thioxanthene SCHEMBL29398766 0.71 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL3763958 0.70 PNMT (0.51) ALDH1A1MEN1KMT2ALMNAMAPT

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
US-20080293153-A1 Photolabile System with Instantaneous Fluorescence Reporting Function COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER 2008-11-27 US disclosed
WO-2007008471-A2 PHOTOLABILE SYSTEM WITH INSTANTANEOUS FLUORESCENCE REPORTING FUNCTION COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER (US) 2007-01-18 WO disclosed