SCHEMBL30105040

SCHEMBL30105040

O=C(Nc1cccc(SC(F)(F)F)c1)Nc1cc(Cl)cc(Cl)c1CCO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.52
UBE2M P61081 1/20 0.45
DCUN1D1 Q96GG9 1/20 0.45
GRIK1 P39086 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NTRK1 P04629 1/20 0.43
CDK19 Q9BWU1 1/20 0.43
KDR P35968 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 2/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL23831649 1.00 TRPV1 (0.52) TRPV1UBE2MDCUN1D1GRIK1MEN1
SCHEMBL23832075 0.93 TRPV1 (0.53) TRPV1UBE2MDCUN1D1GRIK1MEN1
SCHEMBL30105162 0.93 TRPV1 (0.53) TRPV1UBE2MDCUN1D1GRIK1MEN1
SCHEMBL23831782 0.89 TRPV1 (0.57) TRPV1UBE2MDCUN1D1MEN1KMT2A
SCHEMBL30105261 0.87 MEN1 (0.59) TRPV1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL23832007 0.87 MEN1 (0.59) TRPV1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL30105296 0.85 TRPV1 (0.52) TRPV1UBE2MDCUN1D1GRIK1MEN1
SCHEMBL23831639 0.85 TRPV1 (0.52) TRPV1UBE2MDCUN1D1GRIK1MEN1
SCHEMBL23831770 0.84 KMT2A (0.59) TRPV1GRIK1MEN1KMT2AMAPT
SCHEMBL30104989 0.84 KMT2A (0.59) TRPV1GRIK1MEN1KMT2AMAPT

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