SCHEMBL30245845

SCHEMBL30245845

COc1cccc(CN(Cc2cccc(N(C)C)c2)C(N)=S)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ AOC3 Q16853 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HSD17B2 P37059 2/20 0.45
▸ CALM1 P0DP23 1/20 0.44
▸ CAMKK2 Q96RR4 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ TAAR1 Q96RJ0 3/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ AGXT P21549 2/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSPO P30536 1/20 0.41
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL29194663 1.00 POLB (0.46) POLBAOC3GAASMN1; SMN2HSD17B2
SCHEMBL30855352 0.90 TAAR1 (0.51) POLBAOC3GAASMN1; SMN2HSD17B2
SCHEMBL5311990 0.90 TAAR1 (0.51) POLBAOC3GAASMN1; SMN2HSD17B2
SCHEMBL29194742 0.86 CALM1 (0.55) POLBCALM1CAMKK2TAAR1IDO1
SCHEMBL25291376 0.81 SLC2A1 (0.44) POLBAOC3GAASMN1; SMN2HSD17B2
SCHEMBL30246188 0.81 SLC2A1 (0.44) POLBAOC3GAASMN1; SMN2HSD17B2
SCHEMBL30245952 0.80 POLB (0.59) POLBAOC3GAASMN1; SMN2HSD17B2
SCHEMBL29194714 0.80 POLB (0.59) POLBAOC3GAASMN1; SMN2HSD17B2
SCHEMBL29469439 0.79 HSD17B2 (0.51) HSD17B2BCHEACHEKMT2AL3MBTL1
SCHEMBL30854989 0.78 CALM1 (0.55) AOC3CALM1CAMKK2BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP disclosed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO disclosed
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