SCHEMBL29797174

SCHEMBL29797174

O=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
MAPT P10636 3/20 0.59
NPSR1 Q6W5P4 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
ALDH1A1 P00352 1/20 0.49
P2RX7 Q99572 2/20 0.48
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL526160 1.00 GLA (0.59) GLAKMT2AMEN1MAPTNPSR1
SCHEMBL15286566 0.88 KMT2A (0.61) GLAKMT2AMEN1MAPTNPSR1
SCHEMBL29356683 0.88 KMT2A (0.61) GLAKMT2AMEN1MAPTNPSR1
SCHEMBL21950 0.88 KMT2A (0.61) GLAKMT2AMEN1MAPTNPSR1
SCHEMBL4456238 0.86 GLA (0.65) GLAKMT2AMEN1MAPTCYP1A2
Fluopyram SCHEMBL29353266 0.85 GLA (0.59) GLAKMT2AMEN1MAPTNPSR1
Fluopyram SCHEMBL67230 0.85 GLA (0.59) GLAKMT2AMEN1MAPTNPSR1
SCHEMBL6888143 0.84 POLB (0.46) GLAKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL876739 0.83 P2RX7 (0.43) GLAKMT2AMEN1MAPTNPSR1
SCHEMBL16363567 0.82 GLA (0.56) GLAKMT2AMEN1MAPTNPSR1

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
CN-109952028-B Fluopyram-containing formulations for controlling nematodes 拜耳作物科学股份公司 2022-05-27 CN disclosed
CN-109952028-B Fluopyram-containing formulations for controlling nematodes 拜耳作物科学股份公司 2022-05-27 CN disclosed