SCHEMBL29555831

SCHEMBL29555831

O=C(Nc1cc(Cl)cc(OC(F)(F)F)c1)Nc1ccnc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ EPHX2 P34913 4/20 0.47
▸ SMARCA2 P51531 2/20 0.46
▸ SMARCA4 P51532 2/20 0.46
▸ RAF1 P04049 1/20 0.43
▸ BRAF P15056 5/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ P2RY1 P47900 1/20 0.42
▸ KDR P35968 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ P2RX1 P51575 1/20 0.41
▸ IDH1 O75874 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL29555582 0.89 SMARCA2 (0.60) HDAC3HDAC1HDAC2HDAC6EPHX2
SCHEMBL29555865 0.87 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6EPHX2
SCHEMBL29555872 0.86 EPHX2 (0.51) HDAC3HDAC1HDAC2HDAC6EPHX2
SCHEMBL29556191 0.85 MAPT (0.51) SMARCA2SMARCA4MEN1KMT2ALMNA
SCHEMBL29556222 0.84 BRAF (0.57) EPHX2BRAFMEN1KMT2AMAPT
SCHEMBL29555858 0.81 MEN1 (0.62) EPHX2MEN1KMT2ALMNAMAPT
SCHEMBL29556142 0.81 MEN1 (0.62) EPHX2MEN1KMT2ALMNAMAPT
SCHEMBL29556285 0.81 MEN1 (0.52) SMARCA2SMARCA4MEN1KMT2ALMNA
SCHEMBL29556809 0.81 EPHX2 (0.53) HDAC3HDAC1HDAC2HDAC6EPHX2
SCHEMBL29556262 0.80 S1PR2 (0.58) HDAC3HDAC1HDAC2HDAC6EPHX2

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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