SCHEMBL7815044

SCHEMBL7815044

[CH2]C(S)Cc1nnc(C(F)(F)F)s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL7805145 0.71 ALDH1A1 (0.43) ALDH1A1CA1CA2CA4CA5A
SCHEMBL7812311 0.71 NPC1 (0.35)
SCHEMBL12344111 0.70 ALDH1A1 (0.46) ALDH1A1CA1CA2CA4CA5A
SCHEMBL31339479 0.67 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA5A
SCHEMBL21399837 0.65 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA5A
SCHEMBL6381447 0.63 F2 (0.56) ALDH1A1CA1CA2CA4CA5A
SCHEMBL3394308 0.62 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL299775 0.59 ALDH1A1 (0.54) ALDH1A1CA1CA2CA4CA5A
SCHEMBL7810710 0.59
SCHEMBL25145700 0.59 ALDH1A1 (0.37) ALDH1A1HTT

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 8 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-5859030-A Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-01-12 US disclosed
US-5773451-A BACTERICIDES FOR HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-06-30 US disclosed
EP-0764161-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-03-26 EP disclosed
EP-0706523-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1996000224-A1 4-S- AND N-SUBSTITUTED 6-ALKYLPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-01-04 WO disclosed
WO-1995034554-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed
WO-1995001351-A1 SUBSTITUTED ARYLTHIOALKYLTHIOPYRIDINES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 WO disclosed