SCHEMBL29556287

SCHEMBL29556287

COc1cc(NC(=O)Nc2cc(F)cc(Cl)c2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.55
▸ RAB9A P51151 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ NPC1 O15118 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ NFKB2 Q00653 1/20 0.45
▸ RELA Q04206 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PDGFRA P16234 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ SMARCA2 P51531 4/20 0.45
▸ SMARCA4 P51532 3/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ P2RY1 P47900 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
SCHEMBL29555952 0.91 CNR1 (0.60) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL29556151 0.85 CNR1 (0.55) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL29556137 0.83 RAB9A (0.64) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL29556058 0.83 CNR1 (0.68) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL29556206 0.83 MEN1 (0.50) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL29555838 0.83 SMARCA2 (0.64) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL29556285 0.83 MEN1 (0.52) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL22125487 0.81 SMARCA2 (0.67) CNR1RAB9AMEN1KMT2ANPC1
SCHEMBL29556196 0.77 MAPT (0.52) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10344601 0.77 CNR1 (0.63) CNR1RAB9AMEN1KMT2ANPC1

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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