SCHEMBL9332147

SCHEMBL9332147

CC(=O)OCC(=O)Nc1nc2c(Cl)cccc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
KMT2A Q03164 5/20 0.53
POLA1 P09884 1/20 0.52
MAPK1 P28482 4/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 4/20 0.50
SENP7 Q9BQF6 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX15 P16050 1/20 0.50
ACP1 P24666 1/20 0.49
DYRK1A Q13627 2/20 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
SCHEMBL9796874 0.88 MAPT (0.51) GAAKMT2APOLA1MAPK1TSHR
SCHEMBL10939456 0.85 GAA (0.63) GAAKMT2APOLA1MAPK1TSHR
SCHEMBL9332428 0.84 DYRK1A (0.71) GAAKMT2AMAPK1NPSR1ALDH1A1
SCHEMBL4861743 0.82 GAA (0.62) GAAKMT2APOLA1MAPK1TSHR
SCHEMBL9332450 0.82 GAA (0.62) GAAKMT2APOLA1MAPK1TSHR
SCHEMBL30754208 0.82 DYRK1A (0.71) GAAKMT2APOLA1MAPK1TSHR
SCHEMBL8354836 0.81 GAA (0.61) GAAKMT2APOLA1MAPK1TSHR
SCHEMBL7932269 0.81 GAA (0.61) GAAKMT2APOLA1MAPK1TSHR
SCHEMBL24804597 0.81 RAB9A (0.62) GAAPOLA1MAPK1TSHRALDH1A1
SCHEMBL4858670 0.79 GAA (0.58) GAAKMT2APOLA1MAPK1TSHR

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