SCHEMBL10691094

SCHEMBL10691094

CCOc1cccc2sc(C(N)=O)c(OCC)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.55
IKBKB O14920 3/20 0.49
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 2/20 0.43
GLA P06280 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.43
DUSP3 P51452 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
F9 P00740 1/20 0.39

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
SCHEMBL5331074 0.87 STING1 (0.56) STING1IKBKBALDH1A1TSHRKDM4E
SCHEMBL3136911 0.76 ALDH1A1 (0.45) STING1ALDH1A1KDM4EMAPK1GLA
SCHEMBL9025199 0.76 STING1 (0.54) STING1ALDH1A1TSHRKDM4EMAPK1
SCHEMBL10693915 0.75 STING1 (0.42) STING1ALDH1A1TSHRKDM4EMAPK1
SCHEMBL23112007 0.75 ALDH1A1 (0.55) STING1ALDH1A1TSHRKDM4EMAPK1
SCHEMBL16666142 0.73 GLA (0.52) ALDH1A1TSHRKDM4EMAPK1GLA
SCHEMBL9024186 0.73 STING1 (0.42) STING1IKBKBALDH1A1TSHRKDM4E
SCHEMBL23630803 0.72 STING1 (1.00) STING1ALDH1A1TSHRKDM4EGLA
SCHEMBL3189724 0.71 TSHR (0.53) TSHRMAPK1GLAL3MBTL1HPGD
SCHEMBL22908996 0.71 ALDH1A1 (0.51) STING1ALDH1A1TSHRKDM4EMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253650-A2 Improvements relating to benzothiophene derivatives ELI LILLY AND COMPANY (US) 1988-01-20 EP claimed
EP-0253650-A2 Improvements relating to benzothiophene derivatives ELI LILLY AND COMPANY (US) 1988-01-20 EP disclosed