SCHEMBL9744019

SCHEMBL9744019

O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Br)c(Sc2ccc(C(F)(F)F)cc2Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
IL2 P60568 3/20 0.44
ATM Q13315 1/20 0.42
TLR7 Q9NYK1 4/20 0.41
TRPV1 Q8NER1 1/20 0.41
GAA P10253 1/20 0.40
TLR8 Q9NR97 5/20 0.38
KDR P35968 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL9743573 0.92 MEN1 (0.54) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL9743731 0.90 MEN1 (0.48) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL9743838 0.89 MEN1 (0.47) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL9743256 0.86 MEN1 (0.55) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL8623087 0.85 MEN1 (0.49) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL9743981 0.84 MEN1 (0.43) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL9744643 0.83 ALDH1A1 (0.50) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL8621586 0.81 IL2 (0.54) MEN1KMT2AUSP2MAPTALOX15
SCHEMBL9743052 0.80 TRPV1 (0.47) MEN1KMT2AMAPTTRPV1GAA
SCHEMBL9743510 0.80 MEN1 (0.56) MEN1KMT2AUSP2MAPTALOX15

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-5116875-A Miticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-26 US disclosed