SCHEMBL30245173

SCHEMBL30245173

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)c2ccc(COCCOc3cccc(N(C)C)c3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EPHB4 P54760 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ HTT P42858 1/20 0.38

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
SCHEMBL30244897 0.96 MAPT (0.40) MAPTKDM4EPOLBLMNAPKM
SCHEMBL30245060 0.95 PRKDC (0.41) MAPTKDM4EPOLBLMNAPKM
SCHEMBL30245891 0.93 HRH3 (0.40) MAPTKDM4ELMNAPKMMAPK1
SCHEMBL30245914 0.93 MAPT (0.43) MAPTKDM4EPOLBLMNAPKM
SCHEMBL25262893 0.92 KIT (0.43) MAPTMAPK1KITFLT3APP
SCHEMBL30245496 0.92 KIT (0.43) MAPTMAPK1KITFLT3APP
SCHEMBL25423576 0.92 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2TSHRNPSR1
SCHEMBL30245088 0.92 MAPT (0.44) MAPTKDM4EPOLBLMNAPKM
SCHEMBL30245395 0.90 MAPT (0.46) MAPTKDM4EPOLBLMNAPKM
SCHEMBL30245183 0.90 AGXT (0.42) MAPTKDM4EPOLBLMNAPKM

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 6 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 claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 — — WO claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 — — EP 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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