SCHEMBL9620538

SCHEMBL9620538

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.54
DUSP3 P51452 2/20 0.54
KDM4E B2RXH2 9/20 0.53
MAPT P10636 8/20 0.53
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 7/20 0.53
LMNA P02545 6/20 0.53
MEN1 O00255 5/20 0.53
GAA P10253 3/20 0.53
CHRM4 P08173 1/20 0.51
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 4/20 0.50
TDP1 Q9NUW8 3/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 5/20 0.48
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 3/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9620871 0.90 DYRK1A (0.53) DYRK1ADUSP3KDM4EMAPTKMT2A
SCHEMBL9620801 0.89 LMNA (0.51) DYRK1ADUSP3KDM4EMAPTKMT2A
SCHEMBL9620668 0.86 APP (0.64) DYRK1AKDM4EMAPTKMT2AALDH1A1
SCHEMBL9620827 0.81 KDM4E (0.61) DYRK1ADUSP3KDM4EMAPTKMT2A
SCHEMBL9620754 0.81 ALDH1A1 (0.56) DYRK1ADUSP3KDM4EMAPTKMT2A
SCHEMBL13806222 0.81 ALDH1A1 (0.56) DYRK1ADUSP3KDM4EMAPTKMT2A
SCHEMBL143850 0.81 ALDH1A1 (0.59) DYRK1ADUSP3KDM4EMAPTKMT2A
SCHEMBL1983852 0.80 CYP3A4 (0.63) DYRK1AKDM4EMAPTKMT2AALDH1A1
SCHEMBL1040735 0.79 DYRK1A (0.63) DYRK1ADUSP3KDM4EMAPTKMT2A
SCHEMBL3374002 0.79 RAB9A (0.63) KDM4EMAPTKMT2AALDH1A1LMNA

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