SCHEMBL29556191

SCHEMBL29556191

COc1cc(Cl)cc(NC(=O)Nc2ccnc(F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HTT P42858 3/20 0.51
▸ ALDH1A1 P00352 1/20 0.49
▸ PDGFRA P16234 2/20 0.47
▸ KDR P35968 2/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ TP53 P04637 3/20 0.45
▸ TSHR P16473 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMARCA2 P51531 2/20 0.45
▸ SMARCA4 P51532 2/20 0.45
▸ IDH1 O75874 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ VSIG8 P0DPA2 1/20 0.43

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
SCHEMBL29556246 0.87 SMARCA2 (0.60) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL29556370 0.85 MAPT (0.50) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL29555831 0.85 HDAC3 (0.47) MAPTNPC1RAB9AKDRMEN1
SCHEMBL29555845 0.85 ALDH1A1 (0.49) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL29556285 0.83 MEN1 (0.52) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL29555889 0.81 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL29556199 0.79 KMT2A (0.68) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL29555975 0.79 MAPT (0.68) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL29555952 0.78 CNR1 (0.60) MAPTNPC1RAB9AHTTALDH1A1
SCHEMBL29556819 0.77 MAPT (0.52) MAPTNPC1RAB9ASMN1; SMN2HTT

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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