SCHEMBL29555889

SCHEMBL29555889

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.56
KMT2A Q03164 5/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
P2RY1 P47900 1/20 0.53
NPC1 O15118 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 3/20 0.51
IDH1 O75874 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
P2RX1 P51575 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.48
CNR1 P21554 1/20 0.48

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 0.89 MAPT (0.52) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL29556797 0.89 RAB9A (0.49) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL29556385 0.89 RAB9A (0.46) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL29555881 0.89 RAB9A (0.46) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL29555854 0.89 S1PR2 (0.64) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL29555975 0.88 MAPT (0.68) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL29556370 0.86 MAPT (0.50) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL30038868 0.86 KMT2A (0.50) KMT2ARAB9AMEN1NPC1SMN1; SMN2
SCHEMBL29556196 0.85 MAPT (0.52) MAPTKMT2ARAB9AMEN1NPSR1
SCHEMBL29556399 0.85 RAB9A (0.46) MAPTKMT2ARAB9AMEN1NPSR1

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