SCHEMBL9333305

SCHEMBL9333305

CCC(=O)OCC(=O)Nc1nc2ccc(OC)cc2s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 9/20 0.76
▸ RAB9A P51151 8/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ ALDH1A1 P00352 3/20 0.76
▸ TP53 P04637 2/20 0.76
▸ TSHR P16473 2/20 0.71
▸ CASP2 P42575 1/20 0.69
▸ CSNK1D P48730 6/20 0.67
▸ POLB P06746 1/20 0.65
▸ HTT P42858 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ DYRK1A Q13627 1/20 0.65
▸ MAPK1 P28482 1/20 0.62
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ ATAD2 Q6PL18 1/20 0.61
▸ SCD O00767 1/20 0.61
▸ MAPT P10636 1/20 0.61

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
SCHEMBL9335241 0.91 NPC1 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9332358 0.90 NPC1 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9332924 0.86 NPC1 (0.72) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9332634 0.84 SCD (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL9332913 0.83 CASP2 (0.79) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL7933605 0.82 CASP2 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL20543332 0.82 CASP2 (1.00) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL7786534 0.82 CASP2 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL5653636 0.82 CASP2 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL29500248 0.82 CASP2 (0.77) NPC1RAB9ASMN1; SMN2ALDH1A1TP53

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
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