SCHEMBL10693915

SCHEMBL10693915

CCOc1cccc2sc(CO)c(OCC)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.40
PABPC1 P11940 1/20 0.37
GRK6 P43250 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
DUSP3 P51452 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
GLA P06280 2/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 2/20 0.35

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
SCHEMBL3136911 0.80 ALDH1A1 (0.45) STING1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5331074 0.77 STING1 (0.56) STING1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10691094 0.75 STING1 (0.55) STING1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23112007 0.70 ALDH1A1 (0.55) STING1ALDH1A1KDM4EMEN1KMT2A
Methyl Alcohol SCHEMBL28171303 0.68 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL7669246 0.68 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL2068454 0.68 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL4495693 0.68 KMT2A (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL9025199 0.68 STING1 (0.54) STING1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4168893 0.67 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AMAPT

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 1 patent. 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