SCHEMBL9621110

SCHEMBL9621110

CC(=O)Oc1ccc2sc(-c3ccc(C)cc3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
MAPT P10636 3/20 0.53
TP53 P04637 1/20 0.53
HDAC6 Q9UBN7 2/20 0.52
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
DYRK1A Q13627 6/20 0.50
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.49
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
DYRK2 Q92630 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
DYRK1B Q9Y463 1/20 0.48

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
SCHEMBL9620877 0.90 CA2 (0.56) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL6219017 0.85 HDAC6 (0.48) MAPTHDAC6NPC1DYRK1AKDM4E
SCHEMBL4009728 0.80 NPC1 (0.58) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL17254809 0.79 MAOB (0.46) SMN1; SMN2MAPTTP53HDAC6NPC1
SCHEMBL14878460 0.78 MAPT (0.81) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL3042970 0.78 APP (0.70) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL11567645 0.78 RAB9A (0.68) SMN1; SMN2MAPTTP53HDAC6NPC1
SCHEMBL17254787 0.78 LMNA (0.44) SMN1; SMN2MAPTTP53HDAC6NPC1
SCHEMBL12408909 0.76 MAPT (0.84) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL17254847 0.76 RORC (0.46) SMN1; SMN2MAPTTP53NPC1RAB9A

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