SCHEMBL21331859

SCHEMBL21331859

Cc1ccc(C(C)(C)c2cnccc2SC(C)(C)C(=O)O)c2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 20/20 0.69
▸ SLC22A6 Q4U2R8 1/20 0.50
▸ SLC22A11 Q9NSA0 1/20 0.50

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
SCHEMBL21350301 0.86 SLC22A12 (0.52) SLC22A12SLC22A6SLC22A11
SCHEMBL12070804 0.82 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11
SCHEMBL12069309 0.80 SLC22A12 (0.82) SLC22A12SLC22A6SLC22A11
SCHEMBL21331809 0.78 SLC22A12 (0.74) SLC22A12SLC22A6SLC22A11
SCHEMBL21331892 0.78 SLC22A12 (0.68) SLC22A12SLC22A6SLC22A11
SCHEMBL21331893 0.77 SLC22A12 (0.67) SLC22A12SLC22A6SLC22A11
SCHEMBL21350299 0.73 SLC22A12 (0.54) SLC22A12SLC22A6SLC22A11
SCHEMBL21350300 0.73 SLC22A12 (0.38) SLC22A12SLC22A6SLC22A11
SCHEMBL12070742 0.71 SLC22A12 (0.65) SLC22A12SLC22A6SLC22A11
SCHEMBL12069312 0.71 SLC22A12 (1.00) SLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019169890-A1 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF 南方医科大学 2019-09-12 — — WO disclosed
WO-2019169890-A1 3-(NAPHTHALENE-1-METHYL SUBSTITUTED)PYRIDINE DERIVATIVE, SYNTHETIC METHOD THEREFOR AND USE THEREOF 南方医科大学 2019-09-12 — — WO disclosed
Send feedback