SCHEMBL8516569

SCHEMBL8516569

FC(F)(F)c1ccc(Cc2nc3ccc(OCCBr)cc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CACNA1B Q00975 4/20 0.43
CACNA1H O95180 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CSNK1D P48730 1/20 0.39
SCN4A P35499 2/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
PDE10A Q9Y233 1/20 0.37
CA4 P22748 1/20 0.37
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL8357941 0.87 MAPT (0.48) MAPTCACNA1BCA1CA2LMNA
SCHEMBL8358041 0.86 KMT2A (0.52) MAPTCA1CA2CSNK1DLMNA
SCHEMBL8359111 0.86 CACNA1B (0.53) MAPTCACNA1BCACNA1HCSNK1DLMNA
SCHEMBL8551381 0.85 CACNA1B (0.45) MAPTCACNA1BCACNA1HCA1CA2
SCHEMBL8355815 0.85 KMT2A (0.47) MAPTCA1CA2CSNK1DEPHX2
SCHEMBL8359679 0.83 MAPT (0.61) MAPTCSNK1DCYP1A2CYP3A4TSHR
SCHEMBL8551252 0.82 LMNA (0.50) MAPTCACNA1BCACNA1HCA1CA2
SCHEMBL8551665 0.81 CACNA1B (0.47) MAPTCACNA1BCACNA1HCA1CA2
SCHEMBL8550957 0.80 CACNA1B (0.44) MAPTCACNA1BCACNA1HLMNACYP1A2
SCHEMBL29016615 0.79 EPHX2 (0.44) MAPTCSNK1DSCN4AEPHX2HTT

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