SCHEMBL326844

SCHEMBL326844

CCOC(=O)c1nnc(-c2ccc(SC)cc2)o1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
POLB P06746 2/20 0.55
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TARBP2 Q15633 6/20 0.45
PDCD4 Q53EL6 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL326764 0.86 CA1 (0.71) CA1CA2POLBMAPTALDH1A1
SCHEMBL165878 0.83 POLB (0.76) CA1CA2POLBMAPTALDH1A1
SCHEMBL31049616 0.83 CA1 (0.68) CA1CA2POLBMAPTALDH1A1
SCHEMBL28501879 0.83 CA1 (0.68) CA1CA2POLBMAPTALDH1A1
SCHEMBL163935 0.83 CA1 (0.68) CA1CA2POLBMAPTALDH1A1
SCHEMBL167291 0.83 CA1 (0.68) CA1CA2POLBMAPTALDH1A1
SCHEMBL7865590 0.83 CA1 (0.72) CA1CA2POLBMAPTALDH1A1
SCHEMBL114885 0.83 CA1 (0.67) CA1CA2POLBMAPTALDH1A1
SCHEMBL11485622 0.82 CA1 (0.67) CA1CA2POLBMAPTALDH1A1
SCHEMBL30949366 0.82 POLB (0.74) CA1CA2POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590969-B1 Therapeutic agents 976 ASTRAZENECA AB (SE) 2014-10-15 EP disclosed
EP-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO disclosed
US-5622976-A NERVOUS SYSTEM DISORDERS; ALZHEIMER*S DISEASE; CEREBROVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0619814-A1 OXADIAZOLE DERIVATIVES HAVING ACETYLCHOLINESTERASE-INHIBITORY AND MUSCARINIC AGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
WO-1993013083-A1 OXADIAZOLE DERIVATIVES HAVING ACETYLCHOLINESTERASE-INHIBITORY AND MUSCARINIC AGONIST ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-08 WO disclosed