SCHEMBL5315745

SCHEMBL5315745

COCNC(=O)c1c(F)cccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
POLB P06746 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
HTT P42858 1/20 0.44
NOD2 Q9HC29 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42

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
SCHEMBL6989227 0.89 RAB9A (0.43) RAB9ANPC1KMT2ACES2CES1
SCHEMBL6989488 0.80 RAB9A (0.42) RAB9ANPC1KMT2AMEN1CES2
SCHEMBL13226271 0.79 RAB9A (0.57) RAB9ANPC1KMT2AMEN1CES2
SCHEMBL2204173 0.78 NPC1 (0.57) RAB9ANPC1KMT2AMEN1CES2
SCHEMBL5313994 0.77 NPC1 (0.59) RAB9ANPC1KMT2AMEN1CES2
SCHEMBL1127907 0.77 CES2 (0.56) RAB9ANPC1KMT2AMEN1CES2
SCHEMBL30739660 0.76 NPC1 (0.63) RAB9ANPC1KMT2AMEN1CES2
SCHEMBL9363197 0.76 KMT2A (0.57) RAB9ANPC1KMT2AMEN1CES2
SCHEMBL13527491 0.76 RAB9A (0.53) RAB9ANPC1KMT2AMEN1CES2
SCHEMBL19523055 0.75 RAB9A (0.53) RAB9ANPC1KMT2AMEN1CES2

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