SCHEMBL12669697

SCHEMBL12669697

CCc1cc(=O)n(Cc2ccccc2)c2c(C(=O)OC)csc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ MAPT P10636 5/20 0.47
▸ THRB P10828 1/20 0.47
▸ NPSR1 Q6W5P4 4/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ GAA P10253 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK8 P45983 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ AR P10275 1/20 0.40
▸ PKM P14618 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
SCHEMBL12667303 0.81 ALDH1A1 (0.46) SMN1; SMN2KDM4EKMT2ANPSR1MAPK1
SCHEMBL12669700 0.74 ATM (0.40) SMN1; SMN2KDM4EKMT2AMAPTGAA
SCHEMBL12668966 0.69 ALDH1A1 (0.36) KDM4EKMT2AALDH1A1TSHRPOLB
SCHEMBL12502321 0.68 AR (0.54) SMN1; SMN2KDM4EKMT2AMAPTTHRB
SCHEMBL1890367 0.67 GAA (0.48) SMN1; SMN2KDM4EKMT2AMAPTTHRB
SCHEMBL29264866 0.67 SLC6A3 (0.51) SMN1; SMN2KDM4EKMT2AMAPTTHRB
SCHEMBL29264847 0.67 KDM4E (0.50) SMN1; SMN2KDM4EKMT2AMAPTGAA
SCHEMBL29264868 0.67 MAPK8 (0.50) SMN1; SMN2KDM4EKMT2AMAPTNPSR1
SCHEMBL13120820 0.66 MAPK8 (0.49) SMN1; SMN2KDM4EKMT2AMAPTNPSR1
SCHEMBL23452060 0.66 KDM4E (0.49) SMN1; SMN2KDM4EKMT2AMAPTTHRB

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
WO-2011060036-A1 BICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2011-05-19 — — WO disclosed
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