SCHEMBL9332913

SCHEMBL9332913

COc1ccc2nc(NC(=O)CO)sc2c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.79
NPC1 O15118 7/20 0.77
RAB9A P51151 6/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
TSHR P16473 1/20 0.77
CSNK1D P48730 7/20 0.76
ALDH1A1 P00352 2/20 0.74
TP53 P04637 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C19 P33261 1/20 0.74
HTT P42858 1/20 0.74
DYRK1A Q13627 1/20 0.74
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
ATAD2 Q6PL18 1/20 0.69
SCD O00767 1/20 0.69
MAPT P10636 3/20 0.69
GAA P10253 1/20 0.68
LMNA P02545 1/20 0.67

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
SCHEMBL7786534 0.88 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL8353964 0.88 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5653636 0.88 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7933605 0.88 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29500248 0.88 CASP2 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL20543332 0.88 CASP2 (1.00) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19844609 0.86 CASP2 (0.74) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL17287785 0.86 CSNK1D (1.00) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL9332358 0.86 NPC1 (0.77) CASP2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL8350055 0.85 CASP2 (0.72) CASP2NPC1RAB9ASMN1; SMN2TSHR

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