SCHEMBL30105035

SCHEMBL30105035

O=C(Nc1cc(F)cc(Br)c1)Nc1cc(F)ccc1CO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 7/20 0.42
HTT P42858 6/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 6/20 0.42
GRIK1 P39086 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL23831793 1.00 MAPT (0.43) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL23831729 0.95 HTT (0.43) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL30105172 0.92 LMNA (0.46) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL23831848 0.92 LMNA (0.46) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL23831736 0.90 MAPT (0.48) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL30105199 0.90 MAPT (0.41) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL23832002 0.90 MAPT (0.41) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL23831712 0.89 GRIK1 (0.55) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL23831917 0.89 GRIK1 (0.46) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL30104954 0.89 GRIK1 (0.46) MAPTMEN1KMT2ARAB9AHTT

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