SCHEMBL11141981

SCHEMBL11141981

O=C(NC(=O)c1ccccc1F)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
EPHX2 P34913 1/20 0.58
TLR8 Q9NR97 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
PTGS1 P23219 1/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 5/20 0.55
LMNA P02545 1/20 0.55
TRPV1 Q8NER1 1/20 0.53
HTT P42858 2/20 0.52
MTOR P42345 1/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50

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
SCHEMBL11359908 0.85 NPC1 (0.66) MEN1KMT2ATDP1EPHX2SMN1; SMN2
Chlotrifmeuron SCHEMBL10868747 0.84 TDP1 (0.70) MEN1KMT2ATDP1EPHX2SMN1; SMN2
SCHEMBL11137549 0.84 EPHX2 (0.57) MEN1KMT2ATDP1EPHX2SMN1; SMN2
SCHEMBL11138342 0.84 RAB9A (0.64) MEN1KMT2ATDP1EPHX2SMN1; SMN2
Penfluron SCHEMBL117735 0.84 EPHX2 (0.60) MEN1KMT2AEPHX2PTGS1RAB9A
SCHEMBL22092991 0.83 GPR27 (0.62) MEN1KMT2AEPHX2RAB9ANPC1
SCHEMBL7627138 0.82 TDP1 (0.75) MEN1KMT2ATDP1EPHX2TLR8
SCHEMBL9326300 0.82 EPHX2 (0.57) MEN1KMT2AEPHX2PTGS1RAB9A
SCHEMBL6819187 0.81 TLR8 (0.71) MEN1KMT2ATDP1TLR8SMN1; SMN2
SCHEMBL9503789 0.81 TRPV1 (0.49) MEN1KMT2ATDP1TLR8SMN1; SMN2

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-4399152-A Substituted benzoyl ureas as insecticides DUPHAR INTERNATIONAL B.V. (NL) 1983-08-16 US disclosed