SCHEMBL25425601

SCHEMBL25425601

COc1cccc(COCCOCc2cc(N(Cc3cccc(OC)c3)Cc3ccc4nc[nH]c4c3)ccn2)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 14/20 0.67
▸ QPCTL Q9NXS2 3/20 0.42
▸ MMP12 P39900 1/20 0.41
▸ PIN1 Q13526 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL30245097 1.00 QPCT (0.67) QPCTQPCTLMMP12PIN1MAPT
SCHEMBL30245400 0.91 QPCT (0.60) QPCTQPCTLMMP12POLB
SCHEMBL29194522 0.91 QPCT (0.60) QPCTQPCTLMMP12POLB
SCHEMBL30244953 0.91 QPCT (0.75) QPCTQPCTLMMP12PIN1MAPT
SCHEMBL30244974 0.89 QPCT (0.75) QPCTQPCTLMMP12PIN1MAPT
SCHEMBL30245001 0.88 QPCT (0.50) QPCTMAPTPOLBHTTSMN1; SMN2
SCHEMBL30245252 0.87 QPCT (0.72) QPCTQPCTLMMP12POLB
SCHEMBL25424775 0.87 QPCT (0.72) QPCTQPCTLMMP12POLB
SCHEMBL25424733 0.87 QPCT (0.55) QPCTQPCTLSMN1; SMN2
SCHEMBL30244832 0.87 QPCT (0.55) QPCTQPCTLSMN1; SMN2

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
Send feedback