SCHEMBL28845646

SCHEMBL28845646

O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.56
GFER P55789 1/20 0.56
MAPKAPK2 P49137 5/20 0.56
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
MAPK1 P28482 1/20 0.53
STAT3 P40763 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
AKR1C3 P42330 1/20 0.48
HSP90AA1 P07900 1/20 0.47
APP P05067 1/20 0.47
NAMPT P43490 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL28845655 0.91 MAPKAPK2 (0.53) RAD52GFERMAPKAPK2MAPTMEN1
SCHEMBL28845652 0.91 RAD52 (0.49) RAD52GFERMAPKAPK2MAPTSMN1; SMN2
SCHEMBL11728397 0.90 RAD52 (0.69) RAD52GFERMAPKAPK2MAPTSMN1; SMN2
SCHEMBL28845647 0.89 MAPK7 (0.49) RAD52GFERMAPKAPK2MAPTSMN1; SMN2
SCHEMBL11731115 0.89 RAD52 (0.54) RAD52GFERMAPKAPK2MAPTSMN1; SMN2
SCHEMBL11540798 0.89 MAPT (0.51) RAD52GFERMAPKAPK2MAPTSMN1; SMN2
SCHEMBL29809901 0.89 KMT2A (0.52) MAPKAPK2MAPTSMN1; SMN2MEN1MAPK1
SCHEMBL28845644 0.89 KMT2A (0.52) MAPKAPK2MAPTSMN1; SMN2MEN1MAPK1
SCHEMBL28845629 0.88 MAPKAPK2 (0.49) RAD52GFERMAPKAPK2MAPTSMN1; SMN2
SCHEMBL11542231 0.86 SLC6A7 (0.60) MAPKAPK2KDM4ENAMPTALDH1A1PDGFRB

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