SCHEMBL29556244

SCHEMBL29556244

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 6/20 0.54
RAB9A P51151 6/20 0.54
HTT P42858 6/20 0.54
NPC1 O15118 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPK1 P28482 1/20 0.53
CNR1 P21554 1/20 0.53
LMNA P02545 2/20 0.53
GRIK1 P39086 3/20 0.52
GRIK2 Q13002 2/20 0.52
MITF O75030 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL29556193 0.90 MAPT (0.60) TP53TSHRMAPTRAB9AHTT
SCHEMBL29556591 0.89 TP53 (0.60) TP53TSHRMAPTRAB9AHTT
SCHEMBL29555975 0.89 MAPT (0.68) TP53TSHRMAPTRAB9AHTT
SCHEMBL29556385 0.88 RAB9A (0.46) TP53TSHRMAPTRAB9AHTT
SCHEMBL29555881 0.88 RAB9A (0.46) TP53TSHRMAPTRAB9AHTT
SCHEMBL29556215 0.86 MEN1 (0.67) MAPTRAB9AHTTNPC1ALDH1A1
SCHEMBL29556399 0.85 RAB9A (0.46) TP53TSHRMAPTRAB9AHTT
SCHEMBL29556797 0.85 RAB9A (0.49) TP53TSHRMAPTRAB9AHTT
SCHEMBL29556788 0.84 MEN1 (0.64) MAPTRAB9AHTTNPC1ALDH1A1
SCHEMBL29556240 0.84 TP53 (0.55) TP53TSHRMAPTRAB9AHTT

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