SCHEMBL7805145

SCHEMBL7805145

[CH2]C(S)c1nnc(C(F)(F)F)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
LMNA P02545 2/20 0.30
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
POLB P06746 1/20 0.30
MPI P34949 1/20 0.30

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
SCHEMBL2622445 0.74 ALDH1A1 (0.46) ALDH1A1CA1CA2CA4CA5A
SCHEMBL31339479 0.71 ALDH1A1 (0.65) ALDH1A1CA1CA2CA4CA5A
SCHEMBL17823701 0.71 ALDH1A1 (0.48) ALDH1A1CA1CA2CA4CA5A
SCHEMBL7815044 0.71 ALDH1A1 (0.39) ALDH1A1CA1CA2CA4CA5A
Hydrochloric Acid SCHEMBL17823608 0.69 ALDH1A1 (0.47) ALDH1A1CA1CA2CA4CA5A
SCHEMBL3394308 0.66 ALDH1A1 (0.52) ALDH1A1CA1CA2CA4CA5A
SCHEMBL299775 0.62 ALDH1A1 (0.54) ALDH1A1CA1CA2CA4CA5A
SCHEMBL17824117 0.62 P2RX3 (0.42) ALDH1A1LMNAHTTNPC1SMN1; SMN2
SCHEMBL11494298 0.61 P2RX3 (0.40) ALDH1A1CA1CA2CA4CA5A
SCHEMBL9332644 0.61 ALDH1A1 (0.46) ALDH1A1CA1CA2CA4CA5A

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