SCHEMBL5164826

SCHEMBL5164826

O=CCc1ccc2nc(-c3ccsc3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.43
MAPT P10636 6/20 0.42
KDM4E B2RXH2 5/20 0.42
GAA P10253 4/20 0.42
GLA P06280 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
SNCA P37840 1/20 0.40
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12967445 0.83 KDM4E (0.60) APPMAPTKDM4EGAAGLA
SCHEMBL1637787 0.79 MAPT (0.61) APPMAPTKDM4EGAAGLA
SCHEMBL25028306 0.77 KDM4E (0.43) APPMAPTKDM4EGAAGLA
SCHEMBL1638288 0.76 APP (0.61) APPMAPTKDM4ELMNAALDH1A1
SCHEMBL1637646 0.76 APP (0.58) APPMAPTKDM4EGAAGLA
SCHEMBL6982961 0.75 KMT2A (0.49) APPMAPTKDM4EGAANPC1
SCHEMBL5161246 0.73 RAB9A (0.42) APPMAPTKDM4EGAAGLA
SCHEMBL1636839 0.73 CCNE1 (0.60) APPMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1638045 0.73 CDK5 (0.60) APPMAPTKDM4EGAANPC1
SCHEMBL5164106 0.72 RAB9A (0.66) MAPTKDM4EGAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765815-A2 NEW COMPOUNDS USEFUL FOR TREATING CNS DISORDERS AstraZeneca AB (SE) 2007-03-28 EP claimed
WO-2006004507-A2 NEW BENZOTHIAZOLE DERIVATIVES USEFUL FOR TREATING CNS DISORDERS ASTRAZENECA AB (SE) 2006-01-12 WO claimed
EP-1765815-A2 NEW COMPOUNDS USEFUL FOR TREATING CNS DISORDERS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006004507-A2 NEW BENZOTHIAZOLE DERIVATIVES USEFUL FOR TREATING CNS DISORDERS ASTRAZENECA AB (SE) 2006-01-12 WO disclosed