SCHEMBL29556076

SCHEMBL29556076

COc1cc(F)cc(NC(=O)Nc2cccc(Cl)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.68
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
MAPT P10636 8/20 0.60
HTT P42858 6/20 0.60
LMNA P02545 3/20 0.60
ALDH1A1 P00352 1/20 0.60
NPC1 O15118 6/20 0.57
PKM P14618 1/20 0.57
GRIK1 P39086 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ATM Q13315 1/20 0.54
MAPK1 P28482 1/20 0.53
CNR1 P21554 1/20 0.53

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
SCHEMBL29556243 0.90 TP53 (0.62) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL29555975 0.89 MAPT (0.68) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL29555874 0.89 MAPT (0.66) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL29556819 0.88 MAPT (0.52) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL29556196 0.88 MAPT (0.52) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL25002342 0.86 MAPT (0.73) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL29557086 0.85 MEN1 (0.64) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL29555917 0.84 MEN1 (0.82) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL29556193 0.84 MAPT (0.60) RAB9AMEN1KMT2AMAPTHTT
SCHEMBL29556240 0.84 TP53 (0.55) RAB9AMEN1KMT2AMAPTHTT

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-2022078533-A1 SUBSTITUTED 1,3-DIPHENYLUREA DERIVATIVES AND 1-PHENYL-3-PYRIDYLUREA DERIVATIVES FOR PLANT BIOTECHNOLOGY, PREPARATIONS CONTAINING THESE COMPOUNDS AND USE THEREOF USTAV EXPERIMENTALNI BOTANIKY AV CR, V.V.I. (CZ) 2022-04-21 WO disclosed