SCHEMBL3652142

SCHEMBL3652142

FC(F)(F)C=Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.45
NFKB1 P19838 1/20 0.45
NPC1 O15118 4/20 0.42
MAPT P10636 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HBB P68871 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39

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
SCHEMBL13508334 0.76 MAPT (0.47) JUNNFKB1NPC1MAPTRAB9A
SCHEMBL107198 0.76 MAPT (0.61) JUNNFKB1NPC1MAPTRAB9A
SCHEMBL138489 0.76 MAPT (0.61) JUNNFKB1NPC1MAPTRAB9A
SCHEMBL28288122 0.75 NFE2L2 (0.54) CYP1A1CYP1B1NFE2L2
SCHEMBL2875295 0.75 NFE2L2 (0.54) MAPTSMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL6309146 0.75 KIF11 (0.41) JUNNFKB1NPC1MAPTRAB9A
SCHEMBL9800772 0.75 NFE2L2 (0.54) MAPTSMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL115403 0.75 NFE2L2 (0.54) MAPTSMN1; SMN2CYP1A2MEN1KMT2A
SCHEMBL19076271 0.74 KIF11 (0.58) NPC1MAPTRAB9ASMN1; SMN2CYP1A2
SCHEMBL16597840 0.74 KIF11 (0.58) NPC1MAPTRAB9ASMN1; SMN2CYP1A2

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-2215086-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST Sumitomo Chemical Company, Limited (JP) 2010-08-11 EP disclosed
WO-2009066786-A1 PYRIDINE COMPOUND, PESTICIDAL COMPOSITION AND METHOD OF CONTROLLING PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-28 WO disclosed