SCHEMBL10712013

SCHEMBL10712013

CCCCN(c1ccc(Cl)cc1)c1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.53
GAA P10253 4/20 0.45
MAPT P10636 4/20 0.45
CNR1 P21554 5/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.39

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
SCHEMBL10711195 0.94 SLC6A3 (0.49) SLC6A3GAAMAPTCNR1NPC1
SCHEMBL10706860 0.89 RAB9A (0.47) SLC6A3GAAMAPTCNR1NPC1
SCHEMBL10706436 0.89 HDAC6 (0.46) SLC6A3GAAMAPTCNR1NPC1
SCHEMBL10704935 0.88 TRPA1 (0.46) SLC6A3GAAMAPTNPC1RAB9A
SCHEMBL10703872 0.86 HDAC6 (0.43) SLC6A3GAAMAPTCNR1NPC1
Diflubenzuron SCHEMBL28118261 0.85 RAB9A (0.48) GAAMAPTCNR1NPC1RAB9A
SCHEMBL10714679 0.85 HDAC6 (0.43) SLC6A3GAAMAPTCNR1NPC1
SCHEMBL10703856 0.84 NPC1 (0.43) SLC6A3GAAMAPTCNR1NPC1
SCHEMBL10702812 0.83 MEN1 (0.43) SLC6A3GAAMAPTCNR1NPC1
SCHEMBL10704876 0.82 MEN1 (0.43) SLC6A3GAAMAPTCNR1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116729-B1 BENZOYLUREA COMPOUNDS AND PESTICIDAL COMPOSITIONS COMPRISINGSAME DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1988-10-12 EP disclosed
US-4710516-A Insecticidal and acaricidal composition comprising a benzoylurea compound DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1987-12-01 US disclosed
US-4665235-A INSECTICIDES, MITICIDES, ANTITUMOR AGENTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1987-05-12 US disclosed