SCHEMBL29556204

SCHEMBL29556204

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ IDH1 O75874 1/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ TMPRSS4 Q9NRS4 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ IGF1R P08069 1/20 0.37

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
SCHEMBL29556159 0.95 EPHX2 (0.46) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL29557083 0.92 EPHX2 (0.49) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL29555852 0.91 EPHX2 (0.50) EPHX2MEN1KMT2ARAB9AMAPT
SCHEMBL29556044 0.91 EPHX2 (0.50) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL29555904 0.90 EPHX2 (0.52) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL29556394 0.90 EPHX2 (0.49) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL29556809 0.88 EPHX2 (0.53) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL29556141 0.88 EPHX2 (0.50) EPHX2MEN1KMT2ARAB9AMAPT
SCHEMBL29556389 0.84 MEN1 (0.51) MEN1KMT2ARAB9AMAPTNPSR1
SCHEMBL29556172 0.84 MEN1 (0.51) MEN1KMT2ARAB9AMAPTNPSR1

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
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