SCHEMBL9620871

SCHEMBL9620871

COc1cccc2sc(-c3ccc(C(=O)O)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
DUSP3 P51452 2/20 0.53
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
CYP3A4 P08684 1/20 0.51
CHRM4 P08173 1/20 0.50
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 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
SCHEMBL9620538 0.90 DYRK1A (0.54) DYRK1ADUSP3ALDH1A1TDP1CYP3A4
SCHEMBL9620838 0.87 RARA (0.47) DYRK1ADUSP3ALDH1A1TDP1RARA
SCHEMBL143850 0.86 ALDH1A1 (0.59) DYRK1ADUSP3ALDH1A1TDP1CYP3A4
SCHEMBL13806222 0.83 ALDH1A1 (0.56) DYRK1ADUSP3ALDH1A1TDP1CYP3A4
SCHEMBL9620754 0.83 ALDH1A1 (0.56) DYRK1ADUSP3ALDH1A1TDP1CYP3A4
SCHEMBL9620827 0.83 KDM4E (0.61) DYRK1ADUSP3ALDH1A1TDP1CYP3A4
SCHEMBL1983852 0.82 CYP3A4 (0.63) DYRK1AALDH1A1TDP1CYP3A4MAPT
SCHEMBL9620790 0.80 APP (0.63) DYRK1AALDH1A1TDP1RARARARB
SCHEMBL1043301 0.80 DYRK1A (0.61) DYRK1ADUSP3ALDH1A1TDP1CYP3A4
SCHEMBL8014076 0.80 TNF (0.57) DYRK1ADUSP3ALDH1A1TDP1CYP3A4

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