SCHEMBL29194522

SCHEMBL29194522

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2ccnc(COCCOc3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 14/20 0.60
▸ QPCTL Q9NXS2 3/20 0.38
▸ MMP12 P39900 1/20 0.37
▸ POLB P06746 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ APP P05067 1/20 0.34

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
SCHEMBL30245400 1.00 QPCT (0.60) QPCTQPCTLMMP12POLBHPGD
SCHEMBL30245274 0.91 QPCT (0.65) QPCTQPCTLMMP12APP
SCHEMBL25427271 0.91 QPCT (0.65) QPCTQPCTLMMP12APP
SCHEMBL30245097 0.91 QPCT (0.67) QPCTQPCTLMMP12POLB
SCHEMBL25425601 0.91 QPCT (0.67) QPCTQPCTLMMP12POLB
SCHEMBL30245085 0.90 QPCT (0.74) QPCTQPCTLMMP12
SCHEMBL25425547 0.89 QPCT (0.65) QPCTQPCTLMMP12APP
SCHEMBL30245219 0.89 QPCT (0.65) QPCTQPCTLMMP12APP
SCHEMBL30245115 0.89 QPCT (0.44) QPCTPOLBHPGDRECQLAPP
SCHEMBL25426407 0.89 QPCT (0.64) QPCTQPCTLMMP12POLBHPGD

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
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 — — CN disclosed
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