SCHEMBL29557086

SCHEMBL29557086

O=C(Nc1cccc(Cl)c1)Nc1cc(F)cc(OC(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.64
KMT2A Q03164 8/20 0.64
RAB9A P51151 5/20 0.64
MAPT P10636 5/20 0.57
HTT P42858 5/20 0.57
LMNA P02545 4/20 0.57
ALDH1A1 P00352 1/20 0.57
P2RX1 P51575 1/20 0.54
NPC1 O15118 3/20 0.54
NPSR1 Q6W5P4 2/20 0.49
TP53 P04637 1/20 0.48
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 1/20 0.48
EPHX2 P34913 1/20 0.48
TRPV1 Q8NER1 1/20 0.47

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
SCHEMBL29556142 0.91 MEN1 (0.62) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29555858 0.91 MEN1 (0.62) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29556589 0.90 MTOR (0.58) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29555891 0.88 P2RX1 (0.67) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29556044 0.88 EPHX2 (0.50) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29555613 0.86 MEN1 (0.56) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29556809 0.85 EPHX2 (0.53) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29556286 0.85 MAPT (0.49) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29556076 0.85 RAB9A (0.68) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL29556261 0.84 P2RX1 (0.62) MEN1KMT2ARAB9AMAPTHTT

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