SCHEMBL8355805

SCHEMBL8355805

CCOc1ccc2nc(Sc3ccc(C(F)(F)F)cc3)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
PPARA Q07869 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 4/20 0.53
MAPK1 P28482 1/20 0.53
CTSD P07339 5/20 0.52
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 2/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 3/20 0.49
NPC1 O15118 3/20 0.49
HPGD P15428 3/20 0.49
RAB9A P51151 3/20 0.49
CYP1A2 P05177 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
SCHEMBL8358196 0.87 MAPT (0.71) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL8356256 0.84 KMT2A (0.65) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL11590891 0.84 KMT2A (0.59) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL8361511 0.84 MAPT (0.63) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL6902202 0.84 MAPT (0.66) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL8357751 0.81 MAPT (0.58) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL8362058 0.80 PTPN1 (0.60) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL6689290 0.78 PDK1 (0.69) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL8358041 0.78 KMT2A (0.52) MAPTPPARAL3MBTL1HTTTDP1
SCHEMBL6665955 0.77 MAPT (0.64) MAPTPPARAL3MBTL1HTTTDP1

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