SCHEMBL18079641

SCHEMBL18079641

CN(C)c1ccc(Nc2nc(-c3ccc(C(=O)CO)cc3)cs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
GAA P10253 4/20 0.58
TDP1 Q9NUW8 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
ALOX5 P09917 3/20 0.57
CSNK2A1 P68400 5/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
AMY1A P0DUB6 3/20 0.53
CLEC4M Q9H2X3 1/20 0.53
ALDH1A1 P00352 2/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL1821095 0.87 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL17465580 0.87 ALOX5 (0.74) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL15303659 0.85 MAPT (0.71) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL1820766 0.85 CSNK2A1 (0.61) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL12297485 0.84 MAPT (0.55) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL12297779 0.82 MAPT (0.78) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL1822119 0.82 MAPT (0.78) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL12297873 0.80 ALOX5 (0.71) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL15303806 0.80 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2GAA
SCHEMBL12297472 0.80 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2GAA

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-9447058-B2 Substituted 1,3-thiazoles as heat shock transcription factor 1 activators DUKE UNIVERSITY (US) 2016-09-20 US disclosed