SCHEMBL30105294

SCHEMBL30105294

O=C(Nc1ccnc(Br)c1)Nc1cc(Br)cc(Br)c1CO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ SMARCA2 P51531 5/20 0.38
▸ SMARCA4 P51532 4/20 0.38
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP3A5 P20815 1/20 0.34
▸ MDM2 Q00987 1/20 0.34

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
SCHEMBL23832028 1.00 AR (0.43) ARKMT2ASMARCA2SMARCA4NPC1
SCHEMBL30105015 0.88 SMARCA2 (0.54) KMT2ASMARCA2SMARCA4NPC1RAB9A
SCHEMBL30105307 0.88 KCNH2 (0.39) KMT2ASMARCA2SMARCA4NPC1RAB9A
SCHEMBL23831929 0.88 SMARCA2 (0.54) KMT2ASMARCA2SMARCA4NPC1RAB9A
SCHEMBL23832005 0.88 KCNH2 (0.39) KMT2ASMARCA2SMARCA4NPC1RAB9A
SCHEMBL23831972 0.87 CNR1 (0.43) KMT2ANPC1RAB9ASMN1; SMN2KDR
SCHEMBL30105096 0.87 CNR1 (0.43) KMT2ANPC1RAB9ASMN1; SMN2KDR
SCHEMBL23832066 0.85 AR (0.45) ARKMT2ASMARCA2SMARCA4NPC1
SCHEMBL23832090 0.81 ACP1 (0.41) KMT2ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30105054 0.81 ACP1 (0.41) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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
EP-4121415-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 — — EP disclosed
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