SCHEMBL8409690

SCHEMBL8409690

CC[CH]SCc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ACHE P22303 4/20 0.36
BCHE P06276 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RECQL P46063 2/20 0.36
AGXT P21549 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL8410057 0.83 IDO1 (0.41) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL934485 0.80 TP53 (0.44) IDO1RAB9ACYP1A2TAAR1ACHE
SCHEMBL8413210 0.77 IDO1 (0.47) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL8410255 0.77 CYP1A2 (0.52) RAB9ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL26193330 0.76 IDO1 (0.45) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL2802287 0.71 IDO1 (0.54) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL915196 0.71 IDO1 (0.54) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL12337765 0.70 IDO1 (0.48) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL515186 0.69 MAPT (0.56) IDO1RAB9ACYP1A2CYP2A6TAAR1
SCHEMBL1051791 0.68 MAOB (0.44) IDO1CYP1A2CYP2A6TAAR1ACHE

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-5859030-A Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-01-12 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
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