SCHEMBL5502572

SCHEMBL5502572

O=C(O)Nc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.76
NPC1 O15118 7/20 0.73
RAB9A P51151 6/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
ADORA2A P29274 7/20 0.71
SCD O00767 1/20 0.69
LMNA P02545 2/20 0.68
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
RECQL P46063 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
CYP2C19 P33261 2/20 0.68
CYP3A4 P08684 1/20 0.68
MAPT P10636 2/20 0.64
CYP2C9 P11712 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.63
KCNK3 O14649 1/20 0.63
KCNK9 Q9NPC2 1/20 0.63

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
Cycloheptane SCHEMBL5500214 0.96 AGER (0.71) AGERNPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL4285954 0.90 NPC1 (0.85) AGERNPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL16603980 0.87 AGER (1.00) AGERNPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL4290771 0.86 NPC1 (0.79) AGERNPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL4287847 0.85 AGER (0.76) AGERNPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL3223685 0.84 RAB9A (1.00) AGERNPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL995829 0.84 NPC1 (1.00) AGERNPC1RAB9ASMN1; SMN2SCD
SCHEMBL27664693 0.83 AGER (0.69) AGERNPC1RAB9ASMN1; SMN2ADORA2A
SCHEMBL8298569 0.83 AGER (0.73) AGERNPC1RAB9ASMN1; SMN2ADORA2A
Hydrochloric Acid SCHEMBL27594584 0.83 NPC1 (0.97) AGERNPC1RAB9ASMN1; SMN2SCD

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 2 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 claimed
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN disclosed