SCHEMBL11279667

SCHEMBL11279667

COc1ccc(-n2cnn(SC(F)(Cl)Cl)c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
HSD17B3 P37058 1/20 0.41
NPBWR1 P48145 3/20 0.40
PPARD Q03181 4/20 0.39
PPARA Q07869 4/20 0.39
PPARG P37231 1/20 0.39
HCAR1 Q9BXC0 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
MCHR1 Q99705 2/20 0.37
NPC1 O15118 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL11279347 0.89 MAPT (0.47) MAPTHSD17B3NPBWR1PPARDPPARA
SCHEMBL11273387 0.85 MEN1 (0.38) NPBWR1PPARDPPARAPPARGHCAR1
SCHEMBL11264715 0.84 PPARD (0.40) MAPTPPARDPPARAPPARGPTGS2
SCHEMBL11266860 0.83 PPARD (0.35) PPARDPPARAPPARGHCAR1PTGS1
SCHEMBL11270305 0.83 MAPT (0.39) MAPTPPARDPPARAPPARGPTGS1
SCHEMBL11265484 0.82 ALDH1A1 (0.36) MAPTPPARDPPARAPPARGHCAR1
SCHEMBL11263658 0.82 PTGS2 (0.40) MAPTPPARDPPARAPPARGPTGS1
SCHEMBL11266444 0.82 ALDH1A1 (0.41) MAPTNPBWR1PPARDPPARAPPARG
SCHEMBL11273409 0.80 ROCK2 (0.41) MAPTPPARDPPARAPPARGPTGS1
SCHEMBL11260766 0.80 PTGS2 (0.36) NPBWR1PPARDPPARAPPARGPTGS2

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-4350701-A 1-(Trihalomethyl-sulfenyl)-4-aryl-1,2,4-triazolin-5-ones, and process for controlling fungi BASF AKTIENGESELLSCHAFT (DE) 1982-09-21 US claimed