SCHEMBL28845652

SCHEMBL28845652

O=C(c1cccc(Nc2ccnc3cc(C(F)(F)F)ccc23)c1)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.49
GFER P55789 1/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 1/20 0.47
MAPKAPK2 P49137 3/20 0.47
GPR52 Q9Y2T5 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
STAT3 P40763 1/20 0.46
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
APP P05067 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL29200486 0.95 MAPKAPK2 (0.49) MAPTKDM4ENPSR1MAPKAPK2GPR52
SCHEMBL30771663 0.95 MAPKAPK2 (0.49) MAPTKDM4ENPSR1MAPKAPK2GPR52
SCHEMBL28845636 0.92 DRD2 (0.51) MAPTKDM4ENPSR1MAPKAPK2GPR52
SCHEMBL28845640 0.92 MAPKAPK2 (0.49) MAPKAPK2GPR52MEN1KMT2ASMN1; SMN2
SCHEMBL28845646 0.91 RAD52 (0.56) RAD52GFERMAPTKDM4ENPSR1
SCHEMBL28845661 0.90 SCN9A (0.48) MAPTKDM4ENPSR1MAPKAPK2GPR52
SCHEMBL29809902 0.88 ABL1 (0.50) MAPTMAPKAPK2GPR52MEN1KMT2A
SCHEMBL28845642 0.88 ABL1 (0.50) MAPTMAPKAPK2GPR52MEN1KMT2A
SCHEMBL28845689 0.88 MAPT (0.52) MAPTTP53MAPKAPK2GPR52KMT2A
SCHEMBL29809938 0.86 HPGD (0.56) KDM4EMAPKAPK2GPR52MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773267-B [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2024-01-26 CN claimed
CN-114773267-A [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2022-07-22 CN claimed
CN-114773267-B [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2024-01-26 CN disclosed
CN-114773267-A [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof 沈阳药科大学 2022-07-22 CN disclosed