SCHEMBL5314903

SCHEMBL5314903

COCN(C(=O)Nc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1F)C(=O)c1c(F)cccc1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 1/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TLR8 Q9NR97 1/20 0.37
PKM P14618 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5313291 0.80 SCN9A (0.44) KMT2AALDH1A1KDM4ECYP1A2TLR8
SCHEMBL6504707 0.79 MEN1 (0.47) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL5315021 0.78 HTT (0.37) KMT2AALDH1A1KDM4EMAPTMEN1
SCHEMBL5313356 0.78 KMT2A (0.38) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL5315879 0.78 HTT (0.34) KMT2ANPSR1KDM4EMAPTMEN1
SCHEMBL5335591 0.78 HTT (0.34) KMT2AALDH1A1MAPTCYP1A2MEN1
SCHEMBL5316819 0.77 TLR8 (0.44) KMT2AKDM4EMAPTLMNAMEN1
SCHEMBL5316114 0.77 KMT2A (0.35) KMT2AALDH1A1GAANPSR1MAPT
SCHEMBL5316133 0.77 POLB (0.39) KMT2AALDH1A1GAANPSR1KDM4E
SCHEMBL5316805 0.76 MEN1 (0.34) KMT2AALDH1A1MAPTMEN1L3MBTL1

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-2007066496-A1 BENZOYLUREA COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-14 WO disclosed