SCHEMBL29556193

SCHEMBL29556193

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
HTT P42858 7/20 0.60
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
LMNA P02545 4/20 0.60
ALDH1A1 P00352 2/20 0.60
RAB9A P51151 7/20 0.57
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
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ATM Q13315 1/20 0.54
MAPK1 P28482 1/20 0.53
CNR1 P21554 1/20 0.53
KDM4E B2RXH2 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
SCHEMBL29556244 0.90 TP53 (0.55) MAPTHTTMEN1KMT2ALMNA
SCHEMBL29555975 0.89 MAPT (0.68) MAPTHTTMEN1KMT2ALMNA
SCHEMBL29556591 0.89 TP53 (0.60) MAPTHTTMEN1KMT2ALMNA
SCHEMBL29556797 0.88 RAB9A (0.49) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL29556399 0.88 RAB9A (0.46) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL25002342 0.86 MAPT (0.73) MAPTHTTMEN1KMT2ALMNA
SCHEMBL29555881 0.85 RAB9A (0.46) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL29556598 0.85 TP53 (0.70) MAPTHTTMEN1KMT2ALMNA
SCHEMBL29556385 0.85 RAB9A (0.46) MAPTHTTMEN1KMT2AALDH1A1
SCHEMBL29555972 0.84 MEN1 (0.74) MAPTHTTMEN1KMT2ALMNA

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