SCHEMBL30245327

SCHEMBL30245327

COc1cccc(CN(Cc2ccc(N3CCOCC3)cc2)c2ccc(CN(C)C)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.46
▸ HSP90AB1 P08238 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ CALM1 P0DP23 1/20 0.43
▸ CAMKK2 Q96RR4 1/20 0.43
▸ QPCT Q16769 2/20 0.43
▸ ATM Q13315 2/20 0.42
▸ AOC3 Q16853 2/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41

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
SCHEMBL30244963 0.96 KDM4E (0.46) MAPTKDM4EPOLBHSP90AA1HSP90AB1
SCHEMBL30245029 0.95 KDM4E (0.46) MAPTKDM4EPOLBHSP90AA1HSP90AB1
SCHEMBL30855004 0.92 KDM4E (0.48) MAPTKDM4EPOLBHSP90AA1HSP90AB1
SCHEMBL25301232 0.91 CNR1 (0.45) MAPTALDH1A1MEN1CASP1KMT2A
SCHEMBL30439031 0.91 MAPT (0.53) MAPTKDM4EPOLBHSP90AA1HSP90AB1
SCHEMBL25297690 0.90 DRD2 (0.47) KDM4EPOLBALDH1A1CALM1CAMKK2
SCHEMBL30244906 0.89 SMN1; SMN2 (0.52) MAPTKDM4EPOLBHSD17B10ALDH1A1
SCHEMBL30245739 0.88 AGXT (0.46) MAPTKDM4EPOLBHSP90AA1HSP90AB1
SCHEMBL30855057 0.88 KDM4E (0.48) MAPTKDM4EPOLBHSP90AA1HSP90AB1
SCHEMBL30245395 0.88 MAPT (0.46) MAPTKDM4EPOLBHSP90AA1HSP90AB1

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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