SCHEMBL8744738

SCHEMBL8744738

NCC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
MAPT P10636 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
PTPN1 P18031 1/20 0.64
GSK3B P49841 1/20 0.64
RAB9A P51151 4/20 0.62
FFAR1 O14842 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
HIF1A Q16665 1/20 0.62
HPGD P15428 1/20 0.60
ERCC5 P28715 1/20 0.60
FEN1 P39748 1/20 0.60
HAO1 Q9UJM8 1/20 0.60
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 3/20 0.58
USP2 O75604 1/20 0.58
AGTR1 P30556 1/20 0.55
SRD5A2 P31213 1/20 0.53
NPC1 O15118 2/20 0.50

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
Hydrochloric Acid SCHEMBL1533600 0.98 SMN1; SMN2 (0.62) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Bromide SCHEMBL1443516 0.98 SMN1; SMN2 (0.62) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL883159 0.91 SMN1; SMN2 (0.50) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Hydrochloric Acid SCHEMBL690938 0.89 SMN1; SMN2 (0.48) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL10337516 0.86 MAPT (0.64) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL45515 0.86 MAPT (0.64) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
SCHEMBL9683457 0.85 MAPK13 (0.55) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Hydrochloric Acid SCHEMBL194804 0.84 MAPT (0.61) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Water SCHEMBL18694848 0.84 MAPT (0.61) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B
Bromide SCHEMBL19378722 0.84 MAPT (0.61) SMN1; SMN2MAPTL3MBTL1PTPN1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611003-B1 Substituted phenyl sulfonamides as selective B3 agonists for the treatment of diabetes and obesity MERCK & CO INC (US) 1997-06-18 EP claimed
EP-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP disclosed
EP-0653421-B1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA (JP) 1997-01-15 EP disclosed
US-5552557-A Process for preparing 2-cyanoimidazole compounds by reaction of an amino ketone compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-09-03 US disclosed
EP-0653421-A1 Process for preparing 2-cyanoimidazole compounds ISHIHARA SANGYO KAISHA LTD. (JP) 1995-05-17 EP disclosed
US-4968702-A ANTIARTHRITIC, INHIBITORS OF PROGRESSIVE JOINT DETERIORATION, IMMUNOSUPPRESSANT AMERICAN CYANAMID COMPANY (US) 1990-11-06 US disclosed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP disclosed