SCHEMBL9620801

SCHEMBL9620801

COC(=O)c1ccc(-c2nc3c(OC(C)=O)cccc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
RAB9A P51151 6/20 0.51
KMT2A Q03164 5/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 3/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
GAA P10253 2/20 0.50
DYRK1A Q13627 1/20 0.45
APP P05067 1/20 0.43
DUSP3 P51452 2/20 0.43
CHRM4 P08173 1/20 0.41
MAPK1 P28482 3/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9620838 0.89 RARA (0.47) LMNARAB9AKMT2AALDH1A1NPC1
SCHEMBL9620538 0.89 DYRK1A (0.54) LMNARAB9AKMT2AALDH1A1NPC1
SCHEMBL9621138 0.85 SMN1; SMN2 (0.52) LMNARAB9AKMT2AALDH1A1NPC1
SCHEMBL1223274 0.85 APP (0.44) LMNARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL9620668 0.83 APP (0.64) LMNARAB9AKMT2AALDH1A1NPC1
SCHEMBL6219086 0.81 BACE1 (0.49) KMT2AALDH1A1NPC1MEN1MAPT
SCHEMBL9620871 0.79 DYRK1A (0.53) LMNARAB9AKMT2AALDH1A1NPC1
SCHEMBL3374002 0.76 RAB9A (0.63) LMNARAB9AKMT2AALDH1A1NPC1
SCHEMBL9628036 0.74 KMT2A (0.67) LMNARAB9AKMT2AALDH1A1NPC1
SCHEMBL1038556 0.72 DYRK1A (0.78) LMNARAB9AKMT2AALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0306708-B1 NOVEL BENZOTHIAZOLE AND ANTIRHEUMATIC AGENT COMPRISING IT AS AN ACTIVE INGREDIENT KANEBO, LTD. (JP) 1992-01-08 EP disclosed
US-4910211-A Containing a phenyl substituted in position 2 and an ester in position 4 KANEBO LTD. (JP) 1990-03-20 US disclosed
EP-0306708-A1 Novel benzothiazole and antirheumatic agent comprising it as an active ingredient KANEBO, LTD. (JP) 1989-03-15 EP disclosed