SCHEMBL3926762

SCHEMBL3926762

[CH2]CCCc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.48
GLA P06280 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAB9A P51151 1/20 0.43
PLAU P00749 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3771280 0.84 TDP1 (0.52) TDP1L3MBTL1KMT2AMAPTGLA
SCHEMBL3926414 0.84 TDP1 (0.52) TDP1L3MBTL1KMT2AMAPTGLA
SCHEMBL4432039 0.84 TDP1 (0.52) TDP1L3MBTL1KMT2AMAPTGLA
SCHEMBL2891723 0.83 TDP1 (0.58) TDP1L3MBTL1KMT2AGLAALDH1A1
SCHEMBL3926418 0.83 TDP1 (0.51) TDP1L3MBTL1KMT2AMAPTGLA
Ammonia Solution, Strong SCHEMBL27669870 0.83 TDP1 (0.51) TDP1L3MBTL1KMT2AMAPTGLA
SCHEMBL19584403 0.81 TDP1 (0.56) TDP1L3MBTL1KMT2AMAPTGLA
Hydrazine SCHEMBL3964002 0.81 TDP1 (0.50) TDP1L3MBTL1KMT2AMAPTGLA
SCHEMBL3928008 0.80 L3MBTL1 (0.49) TDP1L3MBTL1KMT2AMAPTGLA
SCHEMBL1122017 0.80 TDP1 (0.55) TDP1L3MBTL1KMT2AMAPTGLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041090-A1 N- (4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience SA (FR) 2009-04-01 EP disclosed
WO-2008003745-A1 N- (4-PYRIDIN-2-YLBUTYL) BENZAMIDE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 WO disclosed
WO-2008003746-A1 N-(4-PYRIDIN-2-YLBUTYL) CARBOXAMIDE DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE SA (FR) 2008-01-10 WO disclosed