SCHEMBL29556788

SCHEMBL29556788

O=C(Nc1cccc(Br)c1)Nc1cc(Cl)cc(Br)c1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
MAPT P10636 5/20 0.64
LMNA P02545 4/20 0.64
HTT P42858 3/20 0.64
ALDH1A1 P00352 2/20 0.64
GRIK1 P39086 3/20 0.60
GRIK2 Q13002 2/20 0.60
RAB9A P51151 4/20 0.60
NPSR1 Q6W5P4 1/20 0.60
NPC1 O15118 2/20 0.58
P2RY1 P47900 1/20 0.53
GAA P10253 1/20 0.51
TGM2 P21980 1/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL29556215 0.95 MEN1 (0.67) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29555972 0.94 MEN1 (0.74) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29556941 0.88 GAA (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29555934 0.88 MEN1 (0.58) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29555992 0.86 MEN1 (0.56) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29556074 0.86 MAPT (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29556248 0.86 MAPT (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL19707566 0.86 GAA (0.65) MEN1KMT2AMAPTLMNAHTT
SCHEMBL30995906 0.85 CNR1 (0.67) MEN1KMT2AMAPTLMNAHTT
SCHEMBL29555591 0.83 MEN1 (0.61) MEN1KMT2AMAPTLMNAHTT

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