SCHEMBL30245060

SCHEMBL30245060

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)c2cccc(COCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ 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
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CETP P11597 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ EPHX2 P34913 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
SCHEMBL30245183 0.95 AGXT (0.42) PRKDCMAPTLMNAPKMMAPK1
SCHEMBL30245173 0.95 MAPT (0.41) PRKDCMAPTLMNAPKMMAPK1
SCHEMBL30245088 0.94 MAPT (0.44) PRKDCMAPTLMNAPKMMAPK1
SCHEMBL25251894 0.93 CETP (0.40) MAPTCETPCA12CA9KIT
SCHEMBL30245109 0.93 CETP (0.40) MAPTCETPCA12CA9KIT
SCHEMBL25259271 0.92 KIT (0.42) MAPTMAPK1CETPCA12CA9
SCHEMBL30246077 0.92 KIT (0.42) MAPTMAPK1CETPCA12CA9
SCHEMBL30245475 0.92 KDM4E (0.44) PRKDCMAPTLMNAPKMMAPK1
SCHEMBL30244897 0.91 MAPT (0.40) PRKDCMAPTLMNAPKMMAPK1
SCHEMBL29194558 0.90 FGFR1 (0.42) PRKDCMAPTLMNAPKMMAPK1

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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