SCHEMBL30236136

SCHEMBL30236136

NC(=O)c1ccc(OC(F)(F)F)cc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.47
PIM1 P11309 1/20 0.44
CFTR P13569 1/20 0.44
MAPK8 P45983 2/20 0.43
JAK2 O60674 1/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
MAPK7 Q13164 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GMNN O75496 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2314619 1.00 CHEK1 (0.47) CHEK1PIM1CFTRMAPK8JAK2
SCHEMBL28032605 0.87 CHEK1 (0.52) CHEK1CFTRMAPK8EPHX2SCN9A
SCHEMBL4091950 0.86 CHEK1 (0.47) CHEK1PIM1MAPK8JAK2EPHX2
SCHEMBL22497443 0.86 ALDH1A1 (0.57) PIM1CFTREPHX2KDM4EHSD17B10
SCHEMBL6518415 0.86 CHEK1 (0.49) CHEK1PIM1MAPK8JAK2EPHX2
SCHEMBL28128209 0.84 MAPK8 (0.48) CHEK1MAPK8EPHX2KDM4EHSD17B10
SCHEMBL7685381 0.83 CFTR (0.65) PIM1CFTREPHX2KDM4EHSD17B10
SCHEMBL22092981 0.83 DGAT1 (0.51) CHEK1PIM1MAPK8JAK2EPHX2
SCHEMBL965069 0.81 CHEK1 (0.46) CHEK1PIM1MAPK8JAK2EPHX2
SCHEMBL9901975 0.81 AKR1C2 (0.47) CHEK1PIM1MAPK8JAK2EPHX2

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-4120837-A1 INHIBITORS OF CYTOKININ OXIDASE DERIVED FROM 2-(3-PHENYLUREIDO)BENZAMIDE, USE THEREOF AND PREPARATIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2023-01-25 EP disclosed