SCHEMBL29556385

SCHEMBL29556385

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
MAPT P10636 7/20 0.46
NPC1 O15118 5/20 0.46
HTT P42858 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
IDH1 O75874 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RX1 P51575 1/20 0.45
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
MAPK1 P28482 1/20 0.43
P2RY1 P47900 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
SCHEMBL29555881 0.97 RAB9A (0.46) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29556399 0.94 RAB9A (0.46) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29556797 0.94 RAB9A (0.49) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29555889 0.89 MAPT (0.56) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29556232 0.89 RAB9A (0.52) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29557053 0.88 RAB9A (0.47) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29556244 0.88 TP53 (0.55) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29556193 0.85 MAPT (0.60) RAB9AMAPTNPC1HTTSMN1; SMN2
SCHEMBL29555591 0.84 MEN1 (0.61) RAB9AMAPTNPC1HTTKMT2A
SCHEMBL29555992 0.84 MEN1 (0.56) RAB9AMAPTNPC1HTTKMT2A

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