SCHEMBL25254642

SCHEMBL25254642

COc1ccc(CN(Cc2ccc(N(C)C)cc2)C(N)=S)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ GAA P10253 5/20 0.56
▸ LMNA P02545 3/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CALM1 P0DP23 2/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ TP53 P04637 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ NOX1 Q9Y5S8 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL25424046 0.91 ALDH1A1 (0.49) ALDH1A1L3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL25250231 0.85 MEN1 (0.55) ALDH1A1GAALMNAL3MBTL1MEN1
SCHEMBL24343470 0.79 MEN1 (0.55) ALDH1A1GAALMNAL3MBTL1MEN1
SCHEMBL25828708 0.78 MEN1 (0.54) ALDH1A1GAALMNAL3MBTL1MEN1
SCHEMBL29234307 0.77 MEN1 (0.53) ALDH1A1GAALMNAL3MBTL1MEN1
SCHEMBL29194702 0.76 CNR1 (0.50) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL30245845 0.76 POLB (0.46) GAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL29194663 0.76 POLB (0.46) GAAL3MBTL1MEN1KMT2ASMN1; SMN2
SCHEMBL28269468 0.76 ALDH1A1 (0.47) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL24343330 0.74 CALM1 (0.52) ALDH1A1GAALMNAL3MBTL1MEN1

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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