SCHEMBL30105089

SCHEMBL30105089

O=C(Nc1ccnc(Cl)c1)Nc1cc(Br)ccc1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.56
SMARCA4 P51532 8/20 0.56
KMT2A Q03164 5/20 0.50
GRIK1 P39086 1/20 0.46
MEN1 O00255 4/20 0.44
HTT P42858 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
MALT1 Q9UDY8 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL27077601 1.00 SMARCA2 (0.56) SMARCA2SMARCA4KMT2AGRIK1MEN1
SCHEMBL23831732 0.88 SMARCA2 (0.58) SMARCA2SMARCA4KMT2AGRIK1MEN1
SCHEMBL30104987 0.88 SMARCA2 (0.58) SMARCA2SMARCA4KMT2AGRIK1MEN1
SCHEMBL30105297 0.88 KMT2A (0.46) SMARCA2SMARCA4KMT2AGRIK1MEN1
SCHEMBL23831934 0.88 KMT2A (0.46) SMARCA2SMARCA4KMT2AGRIK1MEN1
SCHEMBL23831598 0.86 S1PR2 (0.55) KMT2AGRIK1MEN1HTTKDM4E
SCHEMBL23831709 0.85 SMARCA2 (0.56) SMARCA2SMARCA4KMT2AMEN1HTT
SCHEMBL30105088 0.85 KMT2A (0.44) SMARCA2SMARCA4KMT2AGRIK1MEN1
SCHEMBL23832117 0.85 KMT2A (0.44) SMARCA2SMARCA4KMT2AGRIK1MEN1
SCHEMBL30105045 0.85 SMARCA2 (0.56) SMARCA2SMARCA4KMT2AMEN1HTT

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