SCHEMBL27652020

SCHEMBL27652020

CC(C)Oc1cccc(C(=O)Nc2nccs2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.74
NPC1 O15118 7/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
HPGD P15428 1/20 0.74
NPSR1 Q6W5P4 1/20 0.65
KCNK3 O14649 1/20 0.64
KCNK9 Q9NPC2 1/20 0.64
GCK P35557 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.59
RECQL P46063 1/20 0.58
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
SCD O00767 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL30099022 0.87 RAB9A (0.77) RAB9ANPC1SMN1; SMN2HPGDNPSR1
SCHEMBL1426929 0.84 GCK (0.64) RAB9ANPC1SMN1; SMN2HPGDGCK
SCHEMBL22704311 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HPGDNPSR1
SCHEMBL4290205 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL4755922 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HPGDNPSR1
SCHEMBL1426855 0.81 GCK (0.63) RAB9ANPC1SMN1; SMN2HPGDKCNK3
SCHEMBL12616591 0.81 GCK (0.56) RAB9ANPC1SMN1; SMN2HPGDNPSR1
SCHEMBL2664578 0.81 GCK (0.61) RAB9ANPC1SMN1; SMN2HPGDGCK
SCHEMBL2664748 0.81 GCK (0.64) RAB9ANPC1SMN1; SMN2HPGDGCK
SCHEMBL2664561 0.81 GCK (0.61) RAB9ANPC1SMN1; SMN2HPGDGCK

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
CN-101712657-A heteroarylcarbamoylbenzene derivative BANYU PHARMA CO LTD 2010-05-26 CN disclosed
CN-100591671-C Heteroarylcarbamoylbenzene derivatives BANYU PHARMA CO LTD 2010-02-24 CN disclosed
CN-1777589-A Heteroarylcarbamoylbenzene derivatives BANYU PHARMA CO LTD (JP) 2006-05-24 CN disclosed