SCHEMBL14780985

SCHEMBL14780985

COC(=O)c1sc2ccccc2c1CI

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.63
MAPK1 P28482 1/20 0.63
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 3/20 0.61
GAA P10253 3/20 0.61
KMT2A Q03164 3/20 0.61
HSD17B10 Q99714 2/20 0.61
ATM Q13315 2/20 0.61
MEN1 O00255 2/20 0.61
ALOX15 P16050 2/20 0.61
GLA P06280 1/20 0.61
HPGD P15428 1/20 0.61
L3MBTL1 Q9Y468 5/20 0.49
TSHR P16473 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
OGG1 O15527 1/20 0.43

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
SCHEMBL5049332 0.86 LMNA (0.65) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL20839925 0.86 LMNA (0.65) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL1269967 0.85 LMNA (0.63) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL13806635 0.81 MCL1 (0.58) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL31305767 0.80 LMNA (0.69) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL31305775 0.80 LMNA (0.69) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL4650805 0.79 LMNA (0.56) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL9495325 0.78 LMNA (1.00) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL1031488 0.78 LMNA (0.71) LMNAMAPK1MAPTALDH1A1KDM4E
SCHEMBL4651653 0.78 MAPK1 (0.71) LMNAMAPK1MAPTALDH1A1KDM4E

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
US-8399454-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-03-19 US disclosed