SCHEMBL29556262

SCHEMBL29556262

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 4/20 0.58
▸ EPHX2 P34913 4/20 0.52
▸ IGF1R P08069 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ P2RX1 P51575 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ BRAF P15056 1/20 0.40

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
SCHEMBL29555872 0.88 EPHX2 (0.51) S1PR2EPHX2IGF1RHDAC3HDAC1
SCHEMBL29555582 0.86 SMARCA2 (0.60) S1PR2EPHX2IGF1RHDAC3HDAC1
SCHEMBL29556809 0.84 EPHX2 (0.53) S1PR2EPHX2IGF1RHDAC3HDAC1
SCHEMBL29556351 0.84 P2RX1 (0.56) S1PR2EPHX2IGF1RMEN1MAPT
SCHEMBL29555904 0.83 EPHX2 (0.52) EPHX2IGF1RHDAC3HDAC1HDAC2
SCHEMBL29555858 0.82 MEN1 (0.62) EPHX2RAB9AMEN1MAPTKMT2A
SCHEMBL29556142 0.82 MEN1 (0.62) EPHX2RAB9AMEN1MAPTKMT2A
SCHEMBL29556044 0.82 EPHX2 (0.50) S1PR2EPHX2HDAC3HDAC1HDAC2
SCHEMBL29555854 0.81 S1PR2 (0.64) S1PR2RAB9AMEN1MAPTKMT2A
SCHEMBL29556394 0.81 EPHX2 (0.49) EPHX2IGF1RHDAC3HDAC1HDAC2

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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