SCHEMBL8032396

SCHEMBL8032396

[O]c1ccccc1-c1ncc(C(F)(F)F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD11B1 P28845 1/20 0.37
HCRTR1 O43613 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
SCHEMBL6019107 0.81 CYP1A2 (0.45) ALDH1A1PKMGAAALOX5APFEN1
SCHEMBL1416429 0.72 ALDH1A1 (0.53) ALDH1A1PKMGAAATMKDM4E
SCHEMBL11502178 0.70 ALDH1A1 (0.46) ALDH1A1PKMGAAKDM4ELMNA
SCHEMBL8030828 0.70 ALDH1A1 (0.39) ALDH1A1PKMGAAATMKDM4E
SCHEMBL20267065 0.67 SMN1; SMN2 (0.38) ALDH1A1PKMKDM4ELMNARAB9A
SCHEMBL7680164 0.67 ALDH1A1 (0.42) ALDH1A1PKMGAAALOX5APFEN1
SCHEMBL7940202 0.66 AGBL2 (0.43) ALDH1A1PKMGAAATMKDM4E
SCHEMBL26650965 0.66 MET (0.48) ALDH1A1KDM4ERAB9ASMN1; SMN2MAPT
SCHEMBL10762792 0.66 JAK3 (0.49) ALDH1A1GAAALOX5APFEN1KDM4E
SCHEMBL13292079 0.66 TDP2 (0.59) GAARAB9ASMN1; SMN2NPC1MAPK1

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-0984933-A1 SUBSTITUTED 2-PHENYL PYRIDINES, THEIR MANUFACTURE AND USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-03-15 EP disclosed
WO-1998054137-A1 SUBSTITUTED 2-PHENYL PYRIDINES, THEIR MANUFACTURE AND USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-12-03 WO disclosed