SCHEMBL11829099

SCHEMBL11829099

Cc1c(C(=O)Nc2ccccn2)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SORT1 Q99523 6/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KCNMA1 Q12791 1/20 0.46
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNB4 P30926 1/20 0.46
▸ CHRNA3 P32297 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ APEX1 P27695 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
SCHEMBL11829123 0.85 SORT1 (0.49) SORT1
SCHEMBL11838491 0.84 MEN1 (0.56) SORT1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL11831634 0.83 ALDH1A1 (0.52) SORT1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL11827383 0.81 SORT1 (0.58) SORT1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL11727000 0.80 F2R (0.53) KMT2AMEN1L3MBTL1KDM4ENPC1
SCHEMBL11628384 0.79 KCNMA1 (0.48) SORT1KMT2AMEN1L3MBTL1KDM4E
SCHEMBL27486980 0.79 MEN1 (0.63) KMT2AMEN1L3MBTL1KDM4ENPC1
SCHEMBL30417052 0.79 MEN1 (0.63) KMT2AMEN1L3MBTL1KDM4ENPC1
SCHEMBL27486981 0.79 NPC1 (0.54) SORT1KMT2AMEN1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL30416887 0.78 MEN1 (0.61) KMT2AMEN1L3MBTL1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3995044-A Pyridine carboxylic acid amides for mycobacterium infections BAYER AKTIENGESELLSCHAFT (DT) 1976-11-30 — — US disclosed
Send feedback