SCHEMBL7805242

SCHEMBL7805242

[CH2]CCSc1cccc(CN2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ PRMT6 Q96LA8 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ CYP2C19 P33261 1/20 0.45
▸ HRH3 Q9Y5N1 4/20 0.44
▸ POLB P06746 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL7810420 0.92 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL7813997 0.88 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL13574521 0.81 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL10665320 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL13800970 0.80 PRMT6 (0.57) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL11192726 0.77 PRMT6 (0.78) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL11339852 0.77 PRMT6 (0.78) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL24093249 0.75 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL7813992 0.75 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL8562745 0.73 HRH2 (0.56) SMN1; SMN2ALDH1A1TDP1KDM4EHRH3

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
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