SCHEMBL5318752

SCHEMBL5318752

CC(=O)Nc1cccc(-n2nnc(S)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
MAPT P10636 2/20 0.53
CRHBP P24387 1/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.53
CRHR2 Q13324 1/20 0.53
MCOLN3 Q8TDD5 1/20 0.53
POLB P06746 2/20 0.51
CNKSR1 Q969H4 1/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
CPT2 P23786 1/20 0.46
CPT1A P50416 1/20 0.46
GAA P10253 1/20 0.46
ABCG2 Q9UNQ0 3/20 0.46
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR4A1 P22736 1/20 0.42

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
SCHEMBL10889830 0.87 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1MAPTCRHBP
SCHEMBL14093923 0.77 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1MAPTPOLB
SCHEMBL4698356 0.77 GRM5 (0.64) ALDH1A1RAB9ANPC1
SCHEMBL7167035 0.77 BCAT2 (0.41) ALDH1A1RAB9ANPC1MAPTCRHBP
Potassium SCHEMBL5665459 0.76 BCAT2 (0.40) ALDH1A1RAB9ANPC1MAPTCRHBP
SCHEMBL5665451 0.76 BCAT2 (0.40) ALDH1A1RAB9ANPC1MAPTCRHBP
SCHEMBL1537861 0.76 IDO1 (0.54) ALDH1A1RAB9ANPC1MAPTCRHBP
SCHEMBL29870318 0.76 IDO1 (0.54) ALDH1A1RAB9ANPC1MAPTCRHBP
SCHEMBL7954309 0.75 IDO1 (0.53) ALDH1A1RAB9ANPC1MAPTCRHBP
SCHEMBL7954313 0.75 IDO1 (0.53) ALDH1A1RAB9ANPC1MAPTCRHBP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2896610-B1 Particle size control for acetylenic agents useful in condition monitoring systems TEMPTIME CORP (US) 2019-01-30 EP disclosed
EP-2896610-A1 Particle size control for acetylenic agents useful in condition monitoring systems Temptime Corporation (US) 2015-07-22 EP disclosed
EP-1831156-B1 PARTICLE SIZE CONTROL FOR ACETYLENIC AGENTS USEFUL IN CONDITION MONITORING SYSTEMS TEMPTIME CORP (US) 2015-01-28 EP disclosed
EP-1831156-A2 PARTICLE SIZE CONTROL FOR ACETYLENIC AGENTS USEFUL IN CONDITION MONITORING SYSTEMS TEMPTIME CORPORATION (US) 2007-09-12 EP disclosed
WO-2006060602-A2 PARTICLE SIZE CONTROL FOR ACETYLENIC AGENTS USEFUL IN CONDITION MONITORING SYSTEMS TEMPTIME CORPORATION (US) 2006-06-08 WO disclosed
US-7019171-B1 Particle size control for acetylenic agents useful in condition monitoring systems TEMPTIME CORPORATION (US) 2006-03-28 US disclosed