SCHEMBL9430367

SCHEMBL9430367

COC(=O)Cc1ccccc1SC

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 4/20 0.49
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 4/20 0.44
CHRM2 P08172 1/20 0.44
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
MMP2 P08253 2/20 0.42
MMP9 P14780 2/20 0.42
MMP12 P39900 2/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL27633584 0.83 LMNA (0.49) LMNAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL1554320 0.82 KDM4E (0.53) LMNAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL21880681 0.81 MTNR1A (0.45) LMNAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL9891121 0.81 KDM4E (0.45) L3MBTL1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL10175060 0.80 PTGS2 (0.51) L3MBTL1ALDH1A1KDM4EHSD17B10POLB
SCHEMBL1279560 0.80 CHRM2 (0.54) LMNAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL3136680 0.79 LMNA (0.48) LMNAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL1146046 0.79 CYP2C9 (0.56) LMNAL3MBTL1MAPTALDH1A1KMT2A
SCHEMBL4309048 0.79 KDM4E (0.48) LMNAL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL1569021 0.78 LMNA (0.47) LMNAL3MBTL1MAPTALDH1A1KDM4E

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
WO-1994011378-A1 ARYL THIOPYRANO[2,3,4-c,d]INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-05-26 WO disclosed
US-5314900-A Aryl thiopyrano[2,3,4-C,D]indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-05-24 US disclosed