SCHEMBL9836618

SCHEMBL9836618

COC(=O)C1=Cc2sc(C(=O)c3ccccc3)cc2CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
KDM4E B2RXH2 8/20 0.45
HPGD P15428 7/20 0.45
L3MBTL1 Q9Y468 6/20 0.45
TSHR P16473 2/20 0.41
LMNA P02545 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SCD O00767 1/20 0.38
GAA P10253 4/20 0.38
ATM Q13315 3/20 0.38
GLA P06280 3/20 0.38
NOTUM Q6P988 1/20 0.37
CYP3A4 P08684 2/20 0.37

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
SCHEMBL9835131 0.80 TSHR (0.41) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL9836723 0.77 KDM4E (0.39) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL9835663 0.73 TBXAS1 (0.43) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL9835838 0.72 KDM4E (0.35) ALDH1A1KDM4EHPGDL3MBTL1LMNA
SCHEMBL9835177 0.71 TBXAS1 (0.53) ALDH1A1KDM4EL3MBTL1TDP1GAA
SCHEMBL9722754 0.70 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL10775514 0.69 TBXAS1 (0.40) ALDH1A1KDM4EHPGDL3MBTL1LMNA
SCHEMBL7595087 0.68 CNR2 (0.38) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL31090834 0.68 CA12 (0.50) ALDH1A1KDM4EHPGDL3MBTL1TSHR
SCHEMBL7911204 0.68 CA12 (0.50) ALDH1A1KDM4EHPGDL3MBTL1TSHR

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