SCHEMBL6964083

SCHEMBL6964083

COc1ccc(/C(=N/O)C(=O)c2ccccn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
PKM P14618 3/20 0.59
CDK5 Q00535 2/20 0.59
PAX8 Q06710 2/20 0.59
CDK5R1 Q15078 2/20 0.59
HPGD P15428 1/20 0.59
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 6/20 0.54
LMNA P02545 3/20 0.54
HTT P42858 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
F2 P00734 1/20 0.50
POLB P06746 1/20 0.50
ALPL P05186 1/20 0.49

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
SCHEMBL6964085 1.00 RAB9A (0.59) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL6964088 0.87 SMN1; SMN2 (0.64) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL11816880 0.84 RAB9A (0.67) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL6968141 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL6968139 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL3347086 0.79 RAB9A (0.68) RAB9ANPC1SMN1; SMN2PKMCDK5
SCHEMBL12217090 0.77 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL12217099 0.77 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL11809428 0.75 KMT2A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL15988688 0.74 RAB9A (0.62) RAB9ANPC1SMN1; SMN2PKMCDK5

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