SCHEMBL2301

SCHEMBL2301

Cc1ccc(-c2ccccc2C(=O)OC(C)[Si](C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.47
SCN2A Q99250 2/20 0.47
SCN3A Q9NY46 2/20 0.47
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A2 P23975 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
BRS3 P32247 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HPGDS O60760 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2126 0.86 SCN1A (0.48) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL1614 0.85 SCN1A (0.47) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL3201 0.84 SCN1A (0.49) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL31316347 0.78 SLC6A3 (0.56) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL249 0.77 SLC6A3 (0.73) SLC6A3SLC6A4SLC6A2SMN1; SMN2MAPT
SCHEMBL28731480 0.75 ALDH1A1 (0.66) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL3019 0.75 ADRB3 (0.42) SCN1ASCN2ASCN3AMAPK1
SCHEMBL3230316 0.74 TSHR (0.65) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL29500171 0.74 TSHR (0.65) SCN1ASCN2ASCN3ASLC6A3SLC6A4
SCHEMBL27636054 0.73 SCN1A (0.62) SCN1ASCN2ASCN3ASLC6A3SLC6A4

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
US-5965592-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1999-10-12 US disclosed
EP-0443983-B1 Acyl compounds CIBA GEIGY AG (CH) 1996-02-28 EP disclosed
US-5399578-A Hypotensive; valsartan; high blood pressure and cardiac insufficiency CIBA-GEIGY CORP (US) 1995-03-21 US disclosed
EP-0443983-A1 Acyl compounds CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed