SCHEMBL30245289

SCHEMBL30245289

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)c2ccnc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ FGFR1 P11362 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CASP1 P29466 5/20 0.39
▸ CASP7 P55210 5/20 0.39
▸ HIF1A Q16665 5/20 0.39
▸ USP2 O75604 4/20 0.39
▸ CYP2C9 P11712 4/20 0.39
▸ QPCT Q16769 2/20 0.39

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
SCHEMBL29194478 0.93 ALDH1A1 (0.43) MAPTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30244928 0.93 ALDH1A1 (0.43) MAPTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245561 0.93 MAPT (0.40) MAPTLMNAMAPK1PKMTDP1
SCHEMBL30245782 0.92 FGFR1 (0.44) MAPTLMNAMAPK1PKMTDP1
SCHEMBL25426334 0.90 ALDH1A1 (0.46) MAPTLMNAMAPK1PKMTDP1
SCHEMBL30245750 0.90 ALDH1A1 (0.46) MAPTLMNAMAPK1PKMTDP1
SCHEMBL30245039 0.89 ABCB1 (0.45) MAPTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL29194494 0.89 ABCB1 (0.45) MAPTALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL30245753 0.88 MAPT (0.45) MAPTLMNAMAPK1PKMTDP1
SCHEMBL25258029 0.87 HRH3 (0.45) MAPTALDH1A1TSHRKDM4ECASP1

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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