SCHEMBL23831789

SCHEMBL23831789

NCCNc1cc(NC(=O)Nc2cccc(Br)c2CO)cc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 1/20 0.40
KDR P35968 1/20 0.39
P2RY1 P47900 6/20 0.39
EPHX2 P34913 1/20 0.38
HTR2A P28223 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
MCHR1 Q99705 1/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL30105190 1.00 HTT (0.40) HTTALDH1A1RAB9AKDRP2RY1
SCHEMBL23832055 0.92 HTT (0.42) HTTALDH1A1RAB9AKDRP2RY1
SCHEMBL30104999 0.92 HTT (0.42) HTTALDH1A1RAB9AKDRP2RY1
SCHEMBL30105204 0.90 EPHX2 (0.40) HTTRAB9AKDRP2RY1EPHX2
SCHEMBL23831992 0.90 EPHX2 (0.40) HTTRAB9AKDRP2RY1EPHX2
SCHEMBL23831912 0.88 KDR (0.43) KDRP2RY1EPHX2MAPTMEN1
SCHEMBL30105209 0.88 KDR (0.43) KDRP2RY1EPHX2MAPTMEN1
SCHEMBL23831925 0.88 RAB9A (0.52) HTTALDH1A1RAB9AMAPTTSHR
SCHEMBL30105235 0.88 RAB9A (0.52) HTTALDH1A1RAB9AMAPTTSHR
SCHEMBL23831953 0.87 EPHX2 (0.36) KDRP2RY1EPHX2MCHR1

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