SCHEMBL9375013

SCHEMBL9375013

CCNC(=O)Nc1nc2ccc(Cc3ccccn3)cc2s1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 10/20 0.62
NPC1 O15118 7/20 0.61
RAB9A P51151 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 3/20 0.52
OPRK1 P41145 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PIK3CA P42336 1/20 0.49
PIK3CG P48736 1/20 0.49
PIK3CD O00329 1/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL6067835 0.86 ABL1 (0.71) ABL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9375356 0.82 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MAPTOPRK1
SCHEMBL6068323 0.81 ABL1 (0.71) ABL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6067860 0.80 ABL1 (0.65) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL544194 0.78 DYRK1A (0.62) ABL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14189671 0.78 ABL1 (0.70) ABL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6068165 0.78 ABL1 (0.63) ABL1NPC1RAB9ASMN1; SMN2PIK3CA
SCHEMBL1842324 0.77 NPC1 (1.00) ABL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6068241 0.76 ABL1 (0.64) ABL1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL6068149 0.76 ABL1 (0.60) ABL1NPC1RAB9ASMN1; SMN2PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed