SCHEMBL9835838

SCHEMBL9835838

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TBXAS1 P24557 1/20 0.35
MAPK1 P28482 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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) KDM4EALDH1A1HPGDL3MBTL1TBXAS1
SCHEMBL9836663 0.77 KDM4E (0.36) KDM4EALDH1A1HPGDTBXAS1MAPK1
SCHEMBL9835233 0.76 TBXAS1 (0.43) TBXAS1MAPT
SCHEMBL10775514 0.74 TBXAS1 (0.40) KDM4EALDH1A1HPGDL3MBTL1TBXAS1
SCHEMBL9836723 0.74 KDM4E (0.39) KDM4EALDH1A1HPGDL3MBTL1TBXAS1
SCHEMBL9836618 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HPGDL3MBTL1MAPK1
SCHEMBL7595087 0.70 CNR2 (0.38) KDM4EALDH1A1HPGDL3MBTL1MAPK1
SCHEMBL9836779 0.70 TBXAS1 (0.76) KDM4ETBXAS1NPC1
SCHEMBL9835177 0.68 TBXAS1 (0.53) KDM4EALDH1A1L3MBTL1TBXAS1GAA
SCHEMBL9835184 0.68 TBXAS1 (0.61) KDM4EALDH1A1TBXAS1MAPK1MAPT

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