SCHEMBL29556196

SCHEMBL29556196

COc1cc(F)cc(NC(=O)Nc2cc(F)cc(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
IDH1 O75874 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
S1PR2 O95136 1/20 0.45
P2RX1 P51575 1/20 0.45
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
GRM4 Q14833 1/20 0.44

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
SCHEMBL29556819 0.97 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL29557053 0.90 RAB9A (0.47) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL29556243 0.88 TP53 (0.62) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL29556076 0.88 RAB9A (0.68) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL29555889 0.85 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL29556187 0.84 MEN1 (0.61) MAPTRAB9AHTTKMT2AMEN1
SCHEMBL29555610 0.84 MEN1 (0.61) MAPTRAB9AHTTKMT2AMEN1
SCHEMBL29556370 0.82 MAPT (0.50) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL29556017 0.82 RAB9A (0.48) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL23832118 0.81 MAPT (0.44) MAPTRAB9ANPC1SMN1; SMN2HTT

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