SCHEMBL27664693

SCHEMBL27664693

O=C(Nc1ccc(C(=O)Nc2nccs2)cc1)c1ccsc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.69
ADORA2A P29274 7/20 0.64
NPC1 O15118 8/20 0.62
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
CYP2C19 P33261 2/20 0.62
MAPT P10636 2/20 0.62
HSD17B10 Q99714 1/20 0.62
CYP3A4 P08684 1/20 0.62
LMNA P02545 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
RECQL P46063 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP2C9 P11712 1/20 0.59
SCD O00767 1/20 0.59
KCNK3 O14649 1/20 0.57
KCNK9 Q9NPC2 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL2657614 0.92 RAB9A (0.67) AGERNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4285954 0.85 NPC1 (0.85) AGERADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL5502572 0.83 AGER (0.76) AGERADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL5502348 0.83 AGER (0.60) AGERADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL4297875 0.83 ADORA2A (0.67) AGERADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL16603980 0.82 AGER (1.00) AGERADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL4287847 0.80 AGER (0.76) AGERADORA2ANPC1RAB9ASMN1; SMN2
Cycloheptane SCHEMBL5500214 0.80 AGER (0.71) AGERADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL8298569 0.78 AGER (0.73) AGERADORA2ANPC1RAB9ASMN1; SMN2
SCHEMBL4290771 0.78 NPC1 (0.79) AGERADORA2ANPC1RAB9ASMN1; SMN2

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

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