SCHEMBL9836683

SCHEMBL9836683

COC(=O)c1cc2c(s1)C=C(Cn1ccnc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 13/20 0.52
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
AHR P35869 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP19A1 P11511 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9834618 0.83 TBXAS1 (0.52) TBXAS1ALDH1A1GAAKDM4EAHR
SCHEMBL9835177 0.79 TBXAS1 (0.53) TBXAS1ALDH1A1GAAKDM4EL3MBTL1
SCHEMBL9836779 0.78 TBXAS1 (0.76) TBXAS1KDM4EAHRNPSR1CYP19A1
SCHEMBL9835184 0.72 TBXAS1 (0.61) TBXAS1ALDH1A1GAAKDM4EAHR
SCHEMBL9834944 0.71 KDM4E (0.42) ALDH1A1GAAKDM4EL3MBTL1HPGD
SCHEMBL9834927 0.70 TBXAS1 (0.80) TBXAS1ALDH1A1GAAKDM4EHPGD
SCHEMBL8068167 0.70 TBXAS1 (0.64) TBXAS1ALDH1A1KDM4E
SCHEMBL9835495 0.70 TBXAS1 (0.80) TBXAS1ALDH1A1GAACYP19A1RAB9A
SCHEMBL26743183 0.69 KDM4E (0.49) ALDH1A1GAAKDM4EL3MBTL1HPGD
SCHEMBL9834831 0.69 TBXAS1 (0.69) TBXAS1ALDH1A1GAAL3MBTL1CYP19A1

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