SCHEMBL28845642

SCHEMBL28845642

Cc1cccc(N2CCN(C(=O)c3cccc(Nc4ccnc5cc(C(F)(F)F)ccc45)c3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PHGDH O43175 3/20 0.48
RAB9A P51151 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
GPR52 Q9Y2T5 2/20 0.45
SCN9A Q15858 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
ATM Q13315 1/20 0.44
MAPT P10636 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
SCHEMBL29809902 1.00 ABL1 (0.50) ABL1BCRKMT2AMEN1POLB
SCHEMBL28845640 0.93 MAPKAPK2 (0.49) ABL1BCRKMT2AMEN1POLB
SCHEMBL28845636 0.92 DRD2 (0.51) ABL1BCRKMT2AMEN1POLB
SCHEMBL29200486 0.91 MAPKAPK2 (0.49) ABL1BCRKMT2AMEN1POLB
SCHEMBL30771663 0.91 MAPKAPK2 (0.49) ABL1BCRKMT2AMEN1POLB
SCHEMBL28845652 0.88 RAD52 (0.49) KMT2AMEN1POLBSMN1; SMN2GPR52
SCHEMBL28845689 0.86 MAPT (0.52) KMT2AGPR52SCN9AMAPKAPK2MAPT
SCHEMBL29809901 0.86 KMT2A (0.52) KMT2AMEN1POLBSMN1; SMN2PHGDH
SCHEMBL28845644 0.86 KMT2A (0.52) KMT2AMEN1POLBSMN1; SMN2PHGDH
SCHEMBL29809938 0.86 HPGD (0.56) ABL1BCRKMT2AMEN1POLB

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