SCHEMBL9333376

SCHEMBL9333376

COc1cccc2sc(NC(=O)CO)nc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.74
DUSP3 P51452 3/20 0.65
CHRM4 P08173 1/20 0.65
KMT2A Q03164 7/20 0.62
MEN1 O00255 6/20 0.62
ALDH1A1 P00352 6/20 0.62
HPGD P15428 5/20 0.62
KDM4E B2RXH2 4/20 0.62
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
NPSR1 Q6W5P4 2/20 0.62
TMIGD3 P0DMS9 1/20 0.62
ADORA1 P30542 1/20 0.62
PPARG P37231 1/20 0.62
NR2E3 Q9Y5X4 1/20 0.62
NCOR2 Q9Y618 1/20 0.62
MAPT P10636 6/20 0.60
GAA P10253 4/20 0.60
POLB P06746 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL7931743 0.88 DYRK1A (0.72) DYRK1ADUSP3CHRM4KMT2AMEN1
SCHEMBL8350097 0.88 DYRK1A (0.72) DYRK1ADUSP3CHRM4KMT2AMEN1
SCHEMBL9332428 0.85 DYRK1A (0.71) DYRK1ADUSP3CHRM4KMT2AMEN1
SCHEMBL15376502 0.85 DYRK1A (1.00) DYRK1ADUSP3CHRM4KMT2AMEN1
SCHEMBL20660046 0.85 DYRK1A (0.80) DYRK1ADUSP3CHRM4KMT2AMEN1
SCHEMBL3047328 0.85 DYRK1A (0.80) DYRK1ADUSP3CHRM4KMT2AMEN1
Hydrazine SCHEMBL20659924 0.84 DYRK1A (0.74) DYRK1ADUSP3CHRM4KMT2AMEN1
SCHEMBL3050805 0.84 DYRK1A (0.78) DYRK1ADUSP3CHRM4KMT2AMEN1
SCHEMBL20659925 0.83 DYRK1A (0.76) DYRK1ADUSP3CHRM4KMT2AMEN1
SCHEMBL22374141 0.82 DYRK1A (0.74) DYRK1ADUSP3CHRM4KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0397169-B1 Novel benzothiazole derivatives TOYO BOSEKI (JP) 1994-04-13 EP claimed
US-5036086-A Novel benzothiazole derivatives TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-07-30 US claimed
EP-0397169-A1 Novel benzothiazole derivatives TOYO BOSEKI KABUSHIKI KAISHA Trading under the name of Toyobo Co., Ltd. (JP) 1990-11-14 EP claimed
EP-0397169-B1 Novel benzothiazole derivatives TOYO BOSEKI (JP) 1994-04-13 EP disclosed
US-5036086-A Novel benzothiazole derivatives TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-07-30 US disclosed
EP-0397169-A1 Novel benzothiazole derivatives TOYO BOSEKI KABUSHIKI KAISHA Trading under the name of Toyobo Co., Ltd. (JP) 1990-11-14 EP disclosed