SCHEMBL21350752

SCHEMBL21350752

CCOC(=O)C(C)(C)Nc1ccncc1Cc1ccc(C#N)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 19/20 0.55
▸ LATS1 O95835 1/20 0.41
▸ SLC22A6 Q4U2R8 3/20 0.41
▸ SLC22A11 Q9NSA0 1/20 0.41
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ SLC2A9 Q9NRM0 1/20 0.38

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
SCHEMBL28412038 0.87 SLC22A12 (0.66) SLC22A12SLC22A6SLC22A11ABCG2SLC2A9
SCHEMBL21350630 0.87 LATS1 (0.45) SLC22A12LATS1
SCHEMBL21350533 0.85 LATS1 (0.43) SLC22A12LATS1
SCHEMBL21350308 0.83 LATS1 (0.41) SLC22A12LATS1
SCHEMBL21331887 0.83 SLC22A12 (0.52) SLC22A12SLC22A6SLC22A11ABCG2SLC2A9
SCHEMBL21350534 0.82 SLC22A12 (0.56) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL21350517 0.82 SLC22A12 (0.52) SLC22A12SLC22A6SLC22A11ABCG2SLC2A9
SCHEMBL21350525 0.81 SLC22A12 (0.77) SLC22A12SLC22A6SLC22A11ABCG2SLC2A9
SCHEMBL21350304 0.77 SLC22A12 (0.52) SLC22A12SLC22A6SLC22A11ABCG2
SCHEMBL21333885 0.77 SLC22A12 (0.53) SLC22A12SLC22A6SLC22A11ABCG2SLC2A9

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 1 patent. 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
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