SCHEMBL20003938

SCHEMBL20003938

Cc1ccc(NC(=O)C2(C(=O)Nc3ccc(O)c(F)c3)CC2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MET P08581 5/20 0.44
GAA P10253 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 1/20 0.41
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
FLT1 P17948 1/20 0.41
AURKB Q96GD4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30074470 0.87 POLB (0.58) POLBKMT2AMEN1NPSR1GAA
SCHEMBL18256911 0.86 KDR (0.52) METRAB9ANPC1KDREPHB4
SCHEMBL13368505 0.85 NPC1 (0.51) POLBKMT2AMEN1NPSR1MET
SCHEMBL29693549 0.85 MET (0.54) METKDREPHB4TEKAURKB
SCHEMBL4401200 0.85 MET (0.54) METKDREPHB4TEKAURKB
SCHEMBL23136503 0.81 MET (0.53) KMT2AMETRAB9ANPC1KDR
SCHEMBL18256946 0.81 MET (0.54) METKDRTEKFLT1AURKB
SCHEMBL13926132 0.80 NPC1 (0.54) POLBKMT2AMEN1NPSR1MET
SCHEMBL28511547 0.79 POLB (0.51) POLBKMT2AMEN1NPSR1GAA
SCHEMBL30555191 0.79 POLB (0.51) POLBKMT2AMEN1NPSR1GAA

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
EP-3299369-A1 PYRIDO-AZAHETERECYDIC COMPOUND AND PREPARATION METHOD AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2018-03-28 EP disclosed