SCHEMBL29555975

SCHEMBL29555975

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.68
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
HTT P42858 5/20 0.68
LMNA P02545 3/20 0.68
ALDH1A1 P00352 1/20 0.68
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
PKM P14618 1/20 0.62
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
GRIK1 P39086 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ATM Q13315 1/20 0.59
MAPK1 P28482 1/20 0.58
CNR1 P21554 1/20 0.58
KDM4E B2RXH2 1/20 0.57
FADS1 O60427 1/20 0.56

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
SCHEMBL25002342 0.91 MAPT (0.73) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29556076 0.89 RAB9A (0.68) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29556193 0.89 MAPT (0.60) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29556244 0.89 TP53 (0.55) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29555889 0.88 MAPT (0.56) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL22103801 0.87 TP53 (0.75) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29077780 0.84 MEN1 (0.89) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29556162 0.84 MEN1 (0.89) MAPTMEN1KMT2AHTTLMNA
SCHEMBL29556243 0.83 TP53 (0.62) MAPTMEN1KMT2AHTTLMNA
SCHEMBL2682054 0.82 KMT2A (1.00) MAPTMEN1KMT2AHTTLMNA

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