SCHEMBL30438522

SCHEMBL30438522

c1cc(NCc2ccc(N3CCCC3)cc2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.68
▸ MAPT P10636 9/20 0.68
▸ ALOX12 P18054 7/20 0.68
▸ HTT P42858 3/20 0.68
▸ GAA P10253 12/20 0.59
▸ ALDH1A1 P00352 9/20 0.59
▸ L3MBTL1 Q9Y468 8/20 0.59
▸ ALOX15 P16050 6/20 0.59
▸ MAPK1 P28482 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ TDP1 Q9NUW8 3/20 0.59
▸ APP P05067 1/20 0.59
▸ SNCA P37840 1/20 0.59
▸ CHKA P35790 1/20 0.56
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ PLA2G1B P04054 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.49

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
SCHEMBL14680275 0.94 MAPT (0.78) KDM4EMAPTALOX12HTTGAA
SCHEMBL30855012 0.88 MAPT (0.89) KDM4EMAPTALOX12HTTGAA
SCHEMBL30855008 0.86 MAPT (0.63) KDM4EMAPTALOX12HTTGAA
SCHEMBL30854966 0.83 L3MBTL1 (0.62) KDM4EMAPTALOX12HTTGAA
SCHEMBL13879814 0.83 L3MBTL1 (0.63) KDM4EMAPTALOX12HTTGAA
SCHEMBL30438654 0.82 PRMT6 (0.58) KDM4EMAPTALOX12HTTGAA
SCHEMBL17131831 0.81 MAPT (1.00) KDM4EMAPTALOX12HTTGAA
SCHEMBL2475972 0.81 GAA (0.63) KDM4EMAPTALOX12HTTGAA
SCHEMBL2464412 0.81 GAA (0.67) KDM4EMAPTALOX12HTTGAA
SCHEMBL19242051 0.80 F2 (0.61) KDM4EMAPTALOX12HTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
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