SCHEMBL29556243

SCHEMBL29556243

COc1cccc(NC(=O)Nc2cc(F)cc(Cl)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ RAB9A P51151 8/20 0.61
▸ MAPT P10636 6/20 0.61
▸ NPC1 O15118 5/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ HTT P42858 4/20 0.60
▸ PKM P14618 1/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ GRIK1 P39086 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MITF O75030 1/20 0.58
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ STAT1 P42224 1/20 0.55

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
SCHEMBL29556076 0.90 RAB9A (0.68) TP53TSHRRAB9AMAPTNPC1
SCHEMBL29556196 0.88 MAPT (0.52) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL25002342 0.86 MAPT (0.73) TP53TSHRRAB9AMAPTNPC1
SCHEMBL29556819 0.85 MAPT (0.52) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL29556252 0.84 RAB9A (0.82) RAB9AMAPTNPC1HTTCNR1
SCHEMBL29555917 0.84 MEN1 (0.82) TP53TSHRRAB9AMAPTNPC1
SCHEMBL29555874 0.83 MAPT (0.66) TP53TSHRRAB9AMAPTNPC1
SCHEMBL29555975 0.83 MAPT (0.68) TP53TSHRRAB9AMAPTNPC1
SCHEMBL22103791 0.83 TSHR (0.82) TP53TSHRRAB9AMAPTNPC1
SCHEMBL4893387 0.83 TP53 (0.87) TP53TSHRRAB9AMAPTNPC1

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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