SCHEMBL29434809

SCHEMBL29434809

COCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ccc(Cl)cc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL304446 1.00 HTT (0.46) HTTNPSR1
SCHEMBL4930349 0.94 HTT (0.41) HTTNPSR1
SCHEMBL4925854 0.93 PDE7A (0.41)
SCHEMBL4928736 0.91 HTT (0.46) HTTNPSR1
SCHEMBL2520513 0.91 HTT (0.45) HTTNPSR1
SCHEMBL4930490 0.89 HTT (0.53) HTTNPSR1
SCHEMBL4924964 0.89 KMT2A (0.52) HTTNPSR1
SCHEMBL4931851 0.88 KMT2A (0.50)
SCHEMBL4933920 0.88 PDE7A (0.45)
SCHEMBL4921507 0.88 NPC1 (0.46) HTTNPSR1

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
CN-109715637-B Glucokinase activators and methods of use thereof 百时美施贵宝公司 2022-04-05 CN disclosed