SCHEMBL25424858

SCHEMBL25424858

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2ccnc(OCCOCCOc3cccc(OC)c3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 15/20 0.66
▸ QPCTL Q9NXS2 3/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 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
SCHEMBL30245717 1.00 QPCT (0.66) QPCTQPCTLMMP12ALDH1A1POLB
SCHEMBL30245194 0.92 QPCT (0.63) QPCTQPCTLMMP12
SCHEMBL30245326 0.91 QPCT (0.64) QPCTQPCTLMMP12POLB
SCHEMBL25426407 0.91 QPCT (0.64) QPCTQPCTLMMP12POLB
SCHEMBL30245421 0.91 QPCT (0.74) QPCTQPCTLMMP12ALDH1A1
SCHEMBL25426433 0.91 QPCT (0.74) QPCTQPCTLMMP12ALDH1A1
SCHEMBL25425381 0.88 QPCT (0.72) QPCTQPCTLMMP12ALDH1A1
SCHEMBL30244961 0.88 QPCT (0.72) QPCTQPCTLMMP12ALDH1A1
SCHEMBL30244877 0.88 QPCT (0.49) QPCTALDH1A1MAPT
SCHEMBL25425681 0.87 QPCT (0.56) QPCTQPCTLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 — — WO disclosed
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