SCHEMBL25426407

SCHEMBL25426407

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2ccnc(OCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 15/20 0.64
▸ QPCTL Q9NXS2 3/20 0.40
▸ MMP12 P39900 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL30245326 1.00 QPCT (0.64) QPCTQPCTLMMP12POLBHPGD
SCHEMBL30245085 0.93 QPCT (0.74) QPCTQPCTLMMP12
SCHEMBL30245717 0.91 QPCT (0.66) QPCTQPCTLMMP12POLB
SCHEMBL25424858 0.91 QPCT (0.66) QPCTQPCTLMMP12POLB
SCHEMBL30245503 0.89 QPCT (0.70) QPCTQPCTLMMP12
SCHEMBL25427179 0.89 QPCT (0.70) QPCTQPCTLMMP12
SCHEMBL29194522 0.89 QPCT (0.60) QPCTQPCTLMMP12POLBHPGD
SCHEMBL30245400 0.89 QPCT (0.60) QPCTQPCTLMMP12POLBHPGD
SCHEMBL30245488 0.88 QPCT (0.47) QPCTPOLBHPGDRECQL
SCHEMBL29194586 0.87 QPCT (0.47) QPCTPOLBHPGDRECQL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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