SCHEMBL11279347

SCHEMBL11279347

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HSD17B3 P37058 1/20 0.42
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
PPARG P37231 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
S1PR4 O95977 1/20 0.39
ALDH1A1 P00352 1/20 0.39
S1PR1 P21453 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL11279667 0.89 MAPT (0.46) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL11264984 0.84 KMT2A (0.39) MAPTPPARDPPARAPPARGHCAR1
SCHEMBL11271902 0.84 ALDH1A1 (0.40) MAPTPPARDPPARAPPARGALDH1A1
SCHEMBL11269796 0.82 PPARD (0.36) MAPTPPARDPPARAPPARGHTT
SCHEMBL11270269 0.81 SMN1; SMN2 (0.39) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL11266662 0.81 PTGS2 (0.42) MAPTPPARDPPARAPPARGNPC1
SCHEMBL11278669 0.81 ALDH1A1 (0.42) MAPTPPARDPPARAPPARGHTT
SCHEMBL11274441 0.79 ROCK2 (0.43) MAPTPPARDPPARAPPARGHTT
SCHEMBL11275593 0.76 SMN1; SMN2 (0.44) MAPTKMT2ASMN1; SMN2CYP11B2XDH
SCHEMBL11267538 0.75 CYP11B2 (0.32) CYP11B2

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-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
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 disclosed