SCHEMBL29556151

SCHEMBL29556151

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.55
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ PABPC1 P11940 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ SMARCA2 P51531 2/20 0.45
▸ SMARCA4 P51532 2/20 0.45
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ P2RY1 P47900 1/20 0.43
▸ SORT1 Q99523 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ KCNK3 O14649 1/20 0.41
▸ KCNK9 Q9NPC2 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
SCHEMBL29555952 0.91 CNR1 (0.60) CNR1MEN1KMT2APABPC1PDGFRA
SCHEMBL29556287 0.85 CNR1 (0.55) CNR1MEN1KMT2APABPC1PDGFRA
SCHEMBL29556058 0.83 CNR1 (0.68) CNR1MEN1KMT2APDGFRAKDR
SCHEMBL29557049 0.83 CNR1 (0.58) CNR1MEN1KMT2APDGFRAKDR
SCHEMBL22125487 0.81 SMARCA2 (0.67) CNR1MEN1KMT2APABPC1SMARCA2
SCHEMBL29555845 0.80 ALDH1A1 (0.49) CNR1MEN1KMT2APDGFRAKDR
SCHEMBL29556113 0.78 P2RY1 (0.55) CNR1MEN1KMT2ASMARCA2SMARCA4
SCHEMBL29555934 0.78 MEN1 (0.58) MEN1KMT2ARAB9ANPC1P2RY1
SCHEMBL29556399 0.77 RAB9A (0.46) MEN1KMT2ARAB9ANPC1P2RY1
SCHEMBL10344601 0.77 CNR1 (0.63) CNR1MEN1KMT2APDGFRAKDR

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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