SCHEMBL28845644

SCHEMBL28845644

O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPKAPK2 P49137 2/20 0.51
MAPT P10636 1/20 0.51
ATM Q13315 1/20 0.49
SLC6A7 Q99884 1/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PHGDH O43175 1/20 0.49
MAPK1 P28482 1/20 0.48
PDGFRB P09619 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL29809901 1.00 KMT2A (0.52) KMT2AMEN1POLBSMN1; SMN2MAPKAPK2
SCHEMBL11731115 0.93 RAD52 (0.54) KMT2AMEN1POLBSMN1; SMN2MAPKAPK2
SCHEMBL11542231 0.89 SLC6A7 (0.60) MAPKAPK2SLC6A7TSHRALDH1A1L3MBTL1
SCHEMBL7346130 0.89 PDGFRB (0.51) MAPKAPK2SLC6A7PDGFRBNAMPT
SCHEMBL28845655 0.89 MAPKAPK2 (0.53) KMT2AMEN1MAPKAPK2MAPTLMNA
SCHEMBL28845646 0.89 RAD52 (0.56) KMT2AMEN1POLBSMN1; SMN2MAPKAPK2
SCHEMBL11543145 0.87 GAK (0.49) KMT2AMEN1SMN1; SMN2MAPKAPK2MAPT
SCHEMBL11736021 0.87 HPGD (0.52) KMT2AMEN1POLBMAPKAPK2TSHR
SCHEMBL11542636 0.87 PDGFRB (0.53) POLBMAPKAPK2MAPTALDH1A1NPSR1
SCHEMBL28845636 0.87 DRD2 (0.51) KMT2AMEN1POLBSMN1; SMN2MAPKAPK2

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