SCHEMBL6180606

SCHEMBL6180606

COc1ccc(C2CCOCC2)c2sc(NC(=O)c3ccccc3)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CHRM4 P08173 3/20 0.52
DUSP3 P51452 2/20 0.52
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
ADORA2A P29274 4/20 0.49
ADORA1 P30542 4/20 0.49
ADORA2B P29275 4/20 0.49
SAE1 Q9UBE0 1/20 0.49

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
SCHEMBL6181461 0.91 CHRM4 (0.64) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6178167 0.90 ADORA2A (0.62) KMT2AMEN1MAPTDUSP3ADORA2A
SCHEMBL6177019 0.88 MEN1 (0.54) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL14337671 0.86 ALDH1A1 (0.57) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL6179672 0.86 ALDH1A1 (0.57) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL6179726 0.86 CHRM4 (0.52) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL6180413 0.85 ADORA2A (0.54) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL6180215 0.85 ADORA2A (0.54) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL20702466 0.84 ADORA1 (0.45) KMT2AMEN1MAPTALDH1A1CHRM4
SCHEMBL29939645 0.84 ADORA1 (0.45) KMT2AMEN1MAPTALDH1A1CHRM4

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-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP disclosed