SCHEMBL30438654

SCHEMBL30438654

c1cc(CNc2ccncc2)cc(N2CCCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT6 Q96LA8 1/20 0.58
▸ MAPT P10636 6/20 0.51
▸ KDM4E B2RXH2 5/20 0.51
▸ ALOX12 P18054 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ HDAC4 P56524 4/20 0.49
▸ MEF2D Q14814 4/20 0.49
▸ MAP4K4 O95819 1/20 0.49
▸ AGXT P21549 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ GAA P10253 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ CHKA P35790 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ USP2 O75604 1/20 0.44

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
SCHEMBL30855025 0.88 PLOD2 (0.54) PRMT6MAPTKDM4EALOX12HTT
SCHEMBL30854948 0.88 KDM4E (0.69) MAPTKDM4EALOX12HTTHDAC4
SCHEMBL30438836 0.87 PRMT6 (0.63) PRMT6MAPTKDM4EALOX12HTT
SCHEMBL2987241 0.83 PRMT6 (0.58) PRMT6MAPTKDM4EALOX12HTT
SCHEMBL30438522 0.82 KDM4E (0.68) MAPTKDM4EALOX12HTTALDH1A1
SCHEMBL14680275 0.79 MAPT (0.78) MAPTKDM4EALOX12HTTALDH1A1
SCHEMBL30854955 0.78 FABP1 (0.56) PRMT6MAPTKDM4EHDAC4MEF2D
SCHEMBL30854990 0.76 PRMT6 (0.53) PRMT6KDM4EHDAC4MEF2DMAP4K4
SCHEMBL30438815 0.76 PRMT6 (0.53) PRMT6MAPTKDM4EALOX12HDAC4
SCHEMBL6755669 0.75 ADRA2B (0.54) PRMT6F2CYP3A4

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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