SCHEMBL11073642

SCHEMBL11073642

COC(=NC(=O)Nc1ccc(OC(F)(F)F)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
P2RY1 P47900 2/20 0.45
TRPV1 Q8NER1 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 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
SCHEMBL11073605 1.00 EPHX2 (0.48) EPHX2TDP1P2RY1TRPV1L3MBTL1
SCHEMBL11073540 0.89 MAPT (0.48) EPHX2TDP1P2RY1TRPV1L3MBTL1
SCHEMBL11073541 0.89 MAPT (0.48) EPHX2TDP1P2RY1TRPV1L3MBTL1
SCHEMBL11076936 0.89 EPHX2 (0.44) EPHX2TDP1P2RY1TRPV1L3MBTL1
SCHEMBL11076920 0.89 EPHX2 (0.44) EPHX2TDP1P2RY1TRPV1L3MBTL1
SCHEMBL11079910 0.86 TDP1 (0.61) EPHX2TDP1TRPV1L3MBTL1HPGD
SCHEMBL11079907 0.86 TDP1 (0.61) EPHX2TDP1TRPV1L3MBTL1HPGD
SCHEMBL11079418 0.81 EPHX2 (0.50) EPHX2TDP1TRPV1L3MBTL1HPGD
SCHEMBL11079419 0.81 EPHX2 (0.50) EPHX2TDP1TRPV1L3MBTL1HPGD
SCHEMBL11072580 0.78 TRPV1 (0.46) EPHX2TDP1TRPV1HPGDALDH1A1

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
US-4431667-A Imino ethers useful for controlling insect and arachnoid pests THE UPJOHN COMPANY (US) 1984-02-14 US disclosed