SCHEMBL4796623

SCHEMBL4796623

O=C(NCCCCc1ncc(C(F)(F)F)cc1Cl)c1cccnc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 1/20 0.51
GLA P06280 1/20 0.50
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PPARD Q03181 1/20 0.43
CYP1A2 P05177 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
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL1950946 0.93 GLA (0.55) KMT2AMEN1MAPTGLAP2RX7
SCHEMBL6026868 0.87 GLA (0.53) KMT2AMEN1MAPTGLAP2RX7
SCHEMBL27637681 0.86 KMT2A (0.55) KMT2AMEN1GLAALDH1A1CYP1A2
SCHEMBL4006228 0.86 GLA (0.53) KMT2AMEN1MAPTGLAP2RX7
SCHEMBL3781264 0.83 GLA (0.54) KMT2AMEN1MAPTGLAP2RX7
SCHEMBL1122733 0.83 GLA (0.54) KMT2AMEN1MAPTGLAP2RX7
SCHEMBL3926612 0.80 MAPT (0.60) KMT2AMEN1MAPTGLAALDH1A1
Fluopyram SCHEMBL67230 0.79 GLA (0.59) KMT2AMEN1MAPTGLAP2RX7
Fluopyram SCHEMBL29353266 0.79 GLA (0.59) KMT2AMEN1MAPTGLAP2RX7
SCHEMBL726447 0.78 GLA (0.58) KMT2AMEN1MAPTGLAP2RX7

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
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