SCHEMBL6964088

SCHEMBL6964088

COc1ccc(C(=NO)C(=NO)c2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 3/20 0.64
RAB9A P51151 9/20 0.56
NPC1 O15118 6/20 0.56
PKM P14618 3/20 0.56
CDK5 Q00535 2/20 0.56
PAX8 Q06710 2/20 0.56
CDK5R1 Q15078 2/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 6/20 0.51
KDM4E B2RXH2 7/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
F2 P00734 1/20 0.47
POLB P06746 1/20 0.47
ALPL P05186 1/20 0.46

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
SCHEMBL6964083 0.87 RAB9A (0.59) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL6964085 0.87 RAB9A (0.59) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL13609700 0.80 KDM4E (0.63) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL6968145 0.80 RAB9A (0.50) SMN1; SMN2ALDH1A1RAB9ANPC1HPGD
SCHEMBL3870748 0.78 RAB9A (0.61) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL29289270 0.76 RAB9A (0.60) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL3347086 0.76 RAB9A (0.68) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL11816880 0.75 RAB9A (0.67) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL8900626 0.75 RAB9A (0.58) SMN1; SMN2ALDH1A1RAB9ANPC1PKM
SCHEMBL2392771 0.73 KMT2A (0.55) SMN1; SMN2ALDH1A1RAB9ANPC1PKM

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
EP-1169317-B1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
US-6465493-B1 SUCH AS 4-(4-(4-FLUOROPHENYL)-5-(2-PYRIDYL)-1-HYDROXY-1H-IMIDAZOL-2-YL)BENZONITRILE; ALK5 MEDIATED DISEASES SUCH AS ARTHRITIS, OSTEOPOROSIS, KIDNEY AND RENAL DISEASES, CONGES-TIVE HEART FAILURE, ULCERS, DIABETIC NEPHROPATHY SMITHKLINE BEECHAM CORPORATION 2002-10-15 US disclosed
EP-1169317-A1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2002-01-09 EP disclosed
WO-2000061576-A1 TRIARYLIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 2000-10-19 WO disclosed