SCHEMBL8658142

SCHEMBL8658142

N#CC(C#N)c1cccc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.53
ENPEP Q07075 1/20 0.53
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA6 P23280 1/20 0.47
AKR1C3 P42330 1/20 0.46
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMO O15229 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
UNG P13051 1/20 0.43
FOLH1 Q04609 1/20 0.42
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
MAPT P10636 2/20 0.41
PTGS1 P23219 2/20 0.41

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
SCHEMBL687298 0.82 ANPEP (0.50) ANPEPENPEPCA1CA2CA9
SCHEMBL30789009 0.82 ANPEP (0.50) ANPEPENPEPCA1CA2CA9
SCHEMBL10655442 0.82 ANPEP (0.50) ANPEPENPEPCA1CA2CA9
SCHEMBL2446964 0.82 ANPEP (0.50) ANPEPENPEPCA1CA2CA9
SCHEMBL2337192 0.80 ANPEP (0.51) ANPEPENPEPCA1CA2CA9
SCHEMBL935891 0.80 LOXL2 (0.47) CYP1A2CYP2C9TSHRMAPTPTGS1
SCHEMBL2957369 0.78 ANPEP (0.61) ANPEPENPEPCA1CA2CA9
SCHEMBL2335804 0.77 ANPEP (0.45) ANPEPENPEPCA1CA2CA9
SCHEMBL4406176 0.76 ANPEP (0.59) ANPEPENPEPCA1CA2CA9
SCHEMBL4406179 0.76 ANPEP (0.59) ANPEPENPEPCA1CA2CA9

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-0714893-B1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO (JP) 1998-10-21 EP disclosed
US-5700819-A ALDOSE REDUCTASE ENZYME INHIBITOR GRELAN PHARMACEUTICAL CO., LTD. (JP) 1997-12-23 US disclosed
EP-0714893-A1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed