SCHEMBL7812152

SCHEMBL7812152

O=[N+]([O-])c1cnc(CCCS)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KCNJ1 P48048 1/20 0.34
PKM P14618 1/20 0.31

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
SCHEMBL7804838 0.95 ALDH1A1 (0.33) ALDH1A1LMNAMAPTKCNJ1PKM
SCHEMBL7810661 0.90
SCHEMBL11735982 0.81 GPR84 (0.40) ALDH1A1PKM
SCHEMBL10398923 0.81 HRH1 (0.36) ALDH1A1LMNAMAPTKCNJ1
SCHEMBL5182829 0.79 TSHR (0.38) ALDH1A1LMNAMAPTPKM
SCHEMBL11617678 0.77 ALDH1A1 (0.34) ALDH1A1LMNAMAPTPKM
SCHEMBL8413024 0.76 HASPIN (0.33) ALDH1A1LMNAMAPTKCNJ1
SCHEMBL11754477 0.75 MAPT (0.31) MAPT
SCHEMBL8813561 0.75 GAA (0.42) ALDH1A1MAPT
SCHEMBL8413090 0.75 HASPIN (0.32)

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-0706523-B1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-01-24 EP disclosed
US-5773451-A BACTERICIDES FOR HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-06-30 US disclosed
EP-0706523-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001351-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed