SCHEMBL21728478

SCHEMBL21728478

O=C(O)c1ccc2c(c1)nnn2CS

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 19/20 0.73
HPGD P15428 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
NAMPT P43490 1/20 0.48

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
SCHEMBL4544128 0.84 HCAR3 (0.73) HCAR3HPGDHCAR2NAMPT
SCHEMBL6044058 0.84 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL6044508 0.82 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL6033322 0.82 HCAR3 (0.74) HCAR3HPGDHCAR2NAMPT
SCHEMBL23084792 0.81 HCAR3 (0.72) HCAR3HPGDHCAR2
SCHEMBL6044288 0.81 HCAR3 (0.78) HCAR3HPGDHCAR2
SCHEMBL6044297 0.81 HCAR3 (0.72) HCAR3HPGDHCAR2NAMPT
SCHEMBL6043680 0.81 HCAR3 (0.68) HCAR3HPGDHCAR2
SCHEMBL6044303 0.81 HCAR3 (1.00) HCAR3HPGDHCAR2NAMPT
SCHEMBL6043812 0.81 HCAR3 (0.68) HCAR3HPGDHCAR2

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
EP-3094626-B1 SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-02-19 EP disclosed