SCHEMBL28290705

SCHEMBL28290705

O=C(Nc1cccc(C(F)(F)F)c1)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
TLR7 Q9NYK1 1/20 0.67
BRAF P15056 1/20 0.66
CES1 P23141 1/20 0.66
GRM4 Q14833 4/20 0.65
HDAC6 Q9UBN7 1/20 0.65
KDR P35968 3/20 0.63
KCNK3 O14649 1/20 0.63
KCNK9 Q9NPC2 1/20 0.63
MAPT P10636 2/20 0.62
IDE P14735 1/20 0.61
MAPK1 P28482 1/20 0.61
MAPK10 P53779 1/20 0.61
P2RX1 P51575 1/20 0.60
MEN1 O00255 2/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60

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
SCHEMBL30360592 1.00 KMT2A (0.71) KMT2ATLR7BRAFCES1GRM4
SCHEMBL28871752 0.88 TLR7 (0.70) KMT2ATLR7BRAFCES1GRM4
SCHEMBL13561074 0.87 KMT2A (0.72) KMT2AMAPTIDEMAPK1MAPK10
SCHEMBL4288765 0.85 BRAF (0.57) KMT2ATLR7BRAFCES1KDR
SCHEMBL5498068 0.85 KMT2A (0.63) KMT2AGRM4HDAC6KDRMAPT
SCHEMBL7990375 0.85 KDR (0.84) GRM4HDAC6KDRKCNK3KCNK9
SCHEMBL15238417 0.84 KMT2A (0.62) KMT2AKDRMAPTIDEMAPK1
SCHEMBL28172197 0.84 TLR7 (0.71) TLR7CES1GRM4MAPTRAB9A
SCHEMBL26657000 0.83 BRAF (0.60) BRAFGRM4
SCHEMBL7606537 0.82 KMT2A (0.66) KMT2AMAPTIDEMAPK1MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109705060-B Preparation method of N- (2-morpholinyl-5-trifluoromethylphenyl) -2- (3-methylphenoxy) propionamide 华东理工大学 2023-04-14 CN claimed
CN-109705060-A A kind of preparation method of N- (2- morpholinyl -5- trifluoromethyl) -2- (3- methylphenoxy) propionamide 华东理工大学 2019-05-03 CN claimed
CN-115108978-B Pyridine formylhydrazine plant antifungal medicine 西北农林科技大学 2024-05-24 CN disclosed
CN-109705060-B Preparation method of N- (2-morpholinyl-5-trifluoromethylphenyl) -2- (3-methylphenoxy) propionamide 华东理工大学 2023-04-14 CN disclosed
CN-109705060-A A kind of preparation method of N- (2- morpholinyl -5- trifluoromethyl) -2- (3- methylphenoxy) propionamide 华东理工大学 2019-05-03 CN disclosed