SCHEMBL30105065

SCHEMBL30105065

NCCNc1cc(Br)cc(NC(=O)Nc2cc(Cl)cc(Cl)c2CCO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.39
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
GRIK1 P39086 4/20 0.35
NPC1 O15118 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
GRIK2 Q13002 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.33
P2RY1 P47900 1/20 0.32

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
SCHEMBL23832009 1.00 TRPV1 (0.39) TRPV1KMT2AMEN1LMNAMAPT
SCHEMBL23831738 0.93 TRPV1 (0.41) TRPV1KMT2AMEN1LMNAMAPT
SCHEMBL30105197 0.93 TRPV1 (0.41) TRPV1KMT2AMEN1LMNAMAPT
SCHEMBL30105325 0.92 TRPV1 (0.41) TRPV1KMT2AMEN1LMNAMAPT
SCHEMBL23831876 0.92 TRPV1 (0.41) TRPV1KMT2AMEN1LMNAMAPT
SCHEMBL23831890 0.91 KMT2A (0.37) TRPV1KMT2AMEN1LMNAMAPT
SCHEMBL30105051 0.91 KMT2A (0.37) TRPV1KMT2AMEN1LMNAMAPT
SCHEMBL23831859 0.90 TRPV1 (0.39) TRPV1KMT2AMEN1MAPTGRIK1
SCHEMBL30105303 0.90 TRPV1 (0.39) TRPV1KMT2AMEN1MAPTGRIK1
SCHEMBL27077608 0.88 TRPV1 (0.42) TRPV1KMT2AMEN1LMNAMAPT

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