SCHEMBL30245375

SCHEMBL30245375

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)c2ccc(OCCOc3cccc(N(C)C)c3)cn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ EPHB4 P54760 1/20 0.42
▸ ALDH1A1 P00352 7/20 0.41
▸ TSHR P16473 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ STAT6 P42226 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ PRKDC P78527 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 1/20 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
SCHEMBL29194701 1.00 FGFR1 (0.42) FGFR1KDREPHB4ALDH1A1TSHR
SCHEMBL30244955 0.92 FGFR1 (0.41) FGFR1KDREPHB4ALDH1A1TSHR
SCHEMBL29194724 0.92 FGFR1 (0.41) FGFR1KDREPHB4ALDH1A1TSHR
SCHEMBL30245817 0.91 ALDH1A1 (0.45) ALDH1A1TSHRSMN1; SMN2NPSR1STAT6
SCHEMBL30245088 0.90 MAPT (0.44) FGFR1KDREPHB4ALDH1A1TSHR
SCHEMBL30245914 0.89 MAPT (0.43) FGFR1KDREPHB4ALDH1A1TSHR
SCHEMBL30245649 0.88 LTA4H (0.48) ALDH1A1TSHRSMN1; SMN2NPSR1STAT6
SCHEMBL29194490 0.88 LTA4H (0.48) ALDH1A1TSHRSMN1; SMN2NPSR1STAT6
SCHEMBL25254080 0.87 MAPT (0.40) ALDH1A1TSHRMAPTKDM4ECASP1
SCHEMBL30245089 0.87 MAPT (0.40) ALDH1A1TSHRMAPTKDM4ECASP1

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 8 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
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
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
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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