SCHEMBL9836723

SCHEMBL9836723

COC(=O)C1=Cc2sc(C(=O)CBr)cc2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.39
HPGD P15428 6/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 3/20 0.38
MAPK1 P28482 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GSK3B P49841 2/20 0.38
GLA P06280 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 2/20 0.36
TBXAS1 P24557 1/20 0.33
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
TP53 P04637 2/20 0.31

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
SCHEMBL9835663 0.78 TBXAS1 (0.43) KDM4EHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL9835177 0.77 TBXAS1 (0.53) KDM4EL3MBTL1ALDH1A1TDP1GAA
SCHEMBL9836618 0.77 ALDH1A1 (0.45) KDM4EHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL10775514 0.76 TBXAS1 (0.40) KDM4EHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL9835838 0.74 KDM4E (0.35) KDM4EHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL26743183 0.73 KDM4E (0.49) KDM4EHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL7595087 0.67 CNR2 (0.38) KDM4EHPGDL3MBTL1ALDH1A1RAB9A
SCHEMBL9836779 0.67 TBXAS1 (0.76) KDM4ENPC1TBXAS1NPSR1
SCHEMBL10775474 0.67 TBXAS1 (0.40) KDM4EALDH1A1SMN1; SMN2GAATBXAS1
SCHEMBL9834944 0.66 KDM4E (0.42) KDM4EHPGDL3MBTL1ALDH1A1RAB9A

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-0240107-B1 THIANAPHTHENE DERIVATIVES, THEIR PRODUCTION AND USE Sankyo Company Limited (JP) 1991-08-21 EP disclosed
US-5021444-A Anticoagulants SANKYO COMPANY LIMITED (JP) 1991-06-04 US disclosed
US-4847272-A ANTICOAGULANTS SANKYO COMPANY LIMITED (JP) 1989-07-11 US disclosed
EP-0240107-A1 Thianaphthene derivatives, their production and use Sankyo Company Limited (JP) 1987-10-07 EP disclosed