SCHEMBL5501384

SCHEMBL5501384

CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nccs2)cc1.O=C(O)c1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.90

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.90
RAB9A P51151 6/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
SCD O00767 1/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
AGER Q15109 1/20 0.56
HSD17B10 Q99714 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADORA1 P30542 3/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL4286191 0.95 ADORA2A (1.00) ADORA2ARAB9ANPC1SMN1; SMN2SCD
SCHEMBL4290771 0.85 NPC1 (0.79) ADORA2ARAB9ANPC1SMN1; SMN2SCD
SCHEMBL16378731 0.79 RAB9A (0.73) ADORA2ARAB9ANPC1SMN1; SMN2SCD
SCHEMBL4884280 0.78 ADORA2A (0.58) ADORA2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3194666 0.77 ADORA2A (0.75) ADORA2ARAB9ANPC1SMN1; SMN2AGER
SCHEMBL3223685 0.76 RAB9A (1.00) ADORA2ARAB9ANPC1SMN1; SMN2SCD
SCHEMBL995829 0.75 NPC1 (1.00) RAB9ANPC1SMN1; SMN2SCDLMNA
SCHEMBL14269570 0.75 ADORA2A (0.63) ADORA2ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL8298569 0.74 AGER (0.73) ADORA2ARAB9ANPC1SMN1; SMN2SCD
Hydrochloric Acid SCHEMBL27594584 0.74 NPC1 (0.97) RAB9ANPC1SMN1; SMN2SCDLMNA

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-1682129-B1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2007-02-21 EP disclosed
EP-1682129-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2006-07-26 EP disclosed
WO-2005039572-A1 N-THIAZOL-2-YL-BENZAMIDE DERIVATIVES H. LUNDBECK A/S (DK) 2005-05-06 WO disclosed