SCHEMBL6623013

SCHEMBL6623013

C=CCCc1nc(-c2cccc(C(F)(F)F)c2)sc1CCl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PIM1 P11309 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RORB Q92753 2/20 0.34
ADORA2A P29274 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL4467878 0.86 MAPT (0.42) ALDH1A1MEN1KMT2AMAPTPPARG
SCHEMBL5317616 0.83 MAPT (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1451665 0.77 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5474039 0.76 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3533766 0.74 MAPT (0.40) ALDH1A1MEN1KMT2AMAPTPPARG
SCHEMBL6664931 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1198661 0.71 MEN1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL16399145 0.71 MEN1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4463226 0.70 PPARD (0.44) MAPTPPARGPPARAPPARD
SCHEMBL1198261 0.70 MEN1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed