SCHEMBL21350524

SCHEMBL21350524

CC(C)(Sc1ccncc1Cc1ccc(C#N)c2ccccc12)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 20/20 1.00
▸ SLC22A6 Q4U2R8 2/20 0.70
▸ SLC22A11 Q9NSA0 1/20 0.70
▸ ABCG2 Q9UNQ0 1/20 0.57

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
SCHEMBL21350525 0.87 SLC22A12 (0.77) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL21331814 0.87 SLC22A12 (0.77) SLC22A12SLC22A6SLC22A11
SCHEMBL21331872 0.85 SLC22A12 (0.74) SLC22A12SLC22A6SLC22A11
SCHEMBL21331809 0.85 SLC22A12 (0.74) SLC22A12SLC22A6SLC22A11
SCHEMBL21333891 0.84 SLC22A12 (0.72) SLC22A12SLC22A6SLC22A11
SCHEMBL28413899 0.84 SLC22A12 (0.72) SLC22A12SLC22A6SLC22A11
Verinurad SCHEMBL12070797 0.83 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL21350889 0.83 SLC22A12 (0.70) SLC22A12SLC22A6SLC22A11ABCG2
Verinurad SCHEMBL29362845 0.83 SLC22A12 (1.00) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL21333899 0.82 SLC22A12 (0.70) SLC22A12SLC22A6SLC22A11

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
CN-108440397-B 3- (naphthalene-1-methyl substituted) pyridine derivative and synthesis method and application thereof 南方医科大学 2020-06-05 — — CN 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
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