SCHEMBL8357909

SCHEMBL8357909

Oc1ccc2nc(Cc3ccc(C(F)(F)F)cc3)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
APP P05067 4/20 0.45
SULT1A1 P50225 2/20 0.45
EPHX2 P34913 1/20 0.44
SCN4A P35499 1/20 0.44
CSNK1D P48730 3/20 0.41
DYRK1A Q13627 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
DYRK2 Q92630 1/20 0.40

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
SCHEMBL8361487 0.85 APP (0.62) MAOBMAPTHTTGAAL3MBTL1
SCHEMBL30370205 0.84 EPHX2 (0.51) MAOBMAPTGAAKDM4EMEN1
SCHEMBL29016615 0.84 EPHX2 (0.44) MAPTHTTALDH1A1APPEPHX2
SCHEMBL30370207 0.84 EPHX2 (0.44) MAPTHTTALDH1A1APPEPHX2
SCHEMBL29016598 0.84 EPHX2 (0.51) MAOBMAPTGAAKDM4EMEN1
SCHEMBL29016622 0.82 SRD5A2 (0.52) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL30370488 0.82 SRD5A2 (0.52) MAPTGAAKDM4EALDH1A1LMNA
SCHEMBL8357712 0.82 MAOB (0.56) MAOBMAPTHTTGAAL3MBTL1
SCHEMBL8361584 0.81 MAPT (0.57) MAOBMAPTHTTGAAL3MBTL1
SCHEMBL28984539 0.81 CSNK1D (0.56) EPHX2SCN4ACSNK1DDYRK1A

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
US-5919807-A ANTICHOLESTEROL AGENTS DR. KARL THOMAE GMBH (DE) 1999-07-06 US disclosed
EP-0824529-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-02-25 EP disclosed
WO-1996035681-A1 BENZOTHIAZOLES AND BENZOXAZOLES, AS WELL AS DRUGS CONTAINING THEM, THEIR USE AND METHODS OF PREPARING THEM DR. KARL THOMAE GMBH (DE) 1996-11-14 WO disclosed