SCHEMBL19851111

SCHEMBL19851111

CCCCSc1nc2ncccc2n1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 20/20 0.62
CYP2C9 P11712 4/20 0.62
CYP2C19 P33261 3/20 0.62
CYP3A4 P08684 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC22A11 Q9NSA0 1/20 0.41
SLC2A9 Q9NRM0 1/20 0.37

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
SCHEMBL19851018 0.90 SLC22A12 (0.67) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851110 0.87 SLC22A12 (0.67) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851133 0.86 SLC22A12 (0.61) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL23954452 0.85 SLC22A12 (0.73) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851127 0.84 SLC22A12 (0.45) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851015 0.83 SLC22A12 (0.66) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851129 0.82 SLC22A12 (0.70) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851105 0.82 SLC22A12 (0.67) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851009 0.82 SLC22A12 (0.79) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19851131 0.82 SLC22A12 (0.64) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495362-B1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF UNIV SHANDONG (CN) 2021-10-27 EP disclosed
EP-3495362-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shandong University (CN) 2019-06-12 EP disclosed
WO-2018023851-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2018-02-08 WO disclosed