SCHEMBL29556797

SCHEMBL29556797

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
MAPT P10636 7/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
P2RY1 P47900 1/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 3/20 0.46
IDH1 O75874 1/20 0.45
P2RX1 P51575 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL29556399 0.97 RAB9A (0.46) RAB9AMAPTKMT2AMEN1NPSR1
SCHEMBL29556385 0.94 RAB9A (0.46) RAB9AMAPTKMT2AMEN1NPSR1
SCHEMBL29555881 0.94 RAB9A (0.46) RAB9AMAPTKMT2AMEN1NPSR1
SCHEMBL29555889 0.89 MAPT (0.56) RAB9AMAPTKMT2AMEN1NPSR1
SCHEMBL29556232 0.89 RAB9A (0.52) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL29557053 0.88 RAB9A (0.47) RAB9AMAPTKMT2AMEN1NPSR1
SCHEMBL29556193 0.88 MAPT (0.60) RAB9AMAPTKMT2AMEN1NPSR1
SCHEMBL29556574 0.85 S1PR2 (0.60) RAB9AMAPTKMT2AMEN1NPC1
SCHEMBL29555591 0.84 MEN1 (0.61) RAB9AMAPTKMT2AMEN1NPSR1
SCHEMBL29556248 0.84 MAPT (0.61) RAB9AMAPTKMT2AMEN1NPSR1

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