SCHEMBL11271199

SCHEMBL11271199

O=c1n(-c2cccc(OC(F)(F)C(F)F)c2)cnn1SC(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
HTT P42858 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNE2 O96020 1/20 0.33
CDK1 P06493 1/20 0.33
FGFR1 P11362 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33

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
SCHEMBL11274640 0.93 PIM1 (0.35) PIM1PIM2HTTCCNB2CCNE2
SCHEMBL11264715 0.80 PPARD (0.40) PPARGPPARDPPARAMAPT
SCHEMBL11263214 0.80 HTT (0.51) HTTPPARGPPARDPPARANPC1
SCHEMBL11263206 0.79 HCAR1 (0.42) HTTFGFR1NPC1RAB9AMAPT
SCHEMBL11268398 0.76 ALDH1A1 (0.41) HTTPPARGPPARDPPARALMNA
SCHEMBL11270867 0.75 OPRD1 (0.37) HTTPPARGPPARDPPARA
SCHEMBL11276254 0.74 HCAR1 (0.40) HTTFGFR1POLBSMN1; SMN2
SCHEMBL11269982 0.73 POLB (0.39) HTTLMNAPOLBMAPT
SCHEMBL11271704 0.72 HTT (0.51) HTTPPARGPPARDPPARAMAPT
SCHEMBL11278370 0.72 PPARD (0.41) PPARGPPARDPPARA

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 disclosed