SCHEMBL30104997

SCHEMBL30104997

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.39
HTT P42858 6/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
GRIK1 P39086 1/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL23831627 1.00 SMN1; SMN2 (0.39) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL23831617 0.92 TRPV1 (0.39) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL30104967 0.92 TRPV1 (0.39) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL30105182 0.91 MAPT (0.42) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL23831831 0.91 MAPT (0.42) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL23831819 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL30105233 0.91 SMN1; SMN2 (0.40) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL23831791 0.90 GRIK1 (0.42) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL30105260 0.90 GRIK1 (0.42) SMN1; SMN2HTTNPC1RAB9AGRIK1
SCHEMBL23831729 0.90 HTT (0.43) SMN1; SMN2HTTNPC1RAB9AGRIK1

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