SCHEMBL23831741

SCHEMBL23831741

O=C(Nc1cccc(SC(F)(F)F)c1)Nc1ccccc1CCO

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.59
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
RXFP1 Q9HBX9 3/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
GRIK1 P39086 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDR P35968 1/20 0.44
BRAF P15056 1/20 0.43

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
SCHEMBL23831851 0.91 TRPV1 (0.62) TRPV1MEN1KMT2AMAPTRXFP1
SCHEMBL23831892 0.88 TRPV1 (0.53) TRPV1MEN1KMT2AMAPTRXFP1
SCHEMBL30105058 0.88 TRPV1 (0.53) TRPV1MEN1KMT2AMAPTRXFP1
SCHEMBL23831639 0.87 TRPV1 (0.52) TRPV1MEN1KMT2AMAPTUBE2M
SCHEMBL30105296 0.87 TRPV1 (0.52) TRPV1MEN1KMT2AMAPTUBE2M
SCHEMBL23832011 0.84 MEN1 (0.64) TRPV1MEN1KMT2AMAPTKDM4E
SCHEMBL23831782 0.84 TRPV1 (0.57) TRPV1MEN1KMT2AMAPTRXFP1
SCHEMBL23831706 0.80 MEN1 (0.76) TRPV1MEN1KMT2AMAPTGRIK1
SCHEMBL23831649 0.80 TRPV1 (0.52) TRPV1MEN1KMT2AMAPTRXFP1
SCHEMBL30105040 0.80 TRPV1 (0.52) TRPV1MEN1KMT2AMAPTRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121415-B1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIV PALACKEHO (CZ) 2024-02-07 EP disclosed
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
WO-2021185391-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 1-[2-(HYDROXYALKYL)PHENYL]-3-YLUREA, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2021-09-23 WO disclosed