SCHEMBL25425979

SCHEMBL25425979

COc1cccc(CN(Cc2ccc3nc[nH]c3c2)c2ccc(CN(C)C)cc2)c1

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 14/20 0.80
MMP12 P39900 1/20 0.49
QPCTL Q9NXS2 3/20 0.48
CALM1 P0DP23 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
DHFR P00374 1/20 0.40

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
SCHEMBL30245579 1.00 QPCT (0.80) QPCTMMP12QPCTLCALM1CAMKK2
SCHEMBL30244982 0.94 QPCT (0.80) QPCTMMP12QPCTLPOLBHPGD
SCHEMBL25424729 0.94 QPCT (0.80) QPCTMMP12QPCTLPOLBHPGD
SCHEMBL30245252 0.87 QPCT (0.72) QPCTMMP12QPCTLPOLBHPGD
SCHEMBL25424775 0.87 QPCT (0.72) QPCTMMP12QPCTLPOLBHPGD
SCHEMBL30244974 0.87 QPCT (0.75) QPCTMMP12QPCTLPOLBDHFR
SCHEMBL25427179 0.85 QPCT (0.70) QPCTMMP12QPCTL
SCHEMBL30245503 0.85 QPCT (0.70) QPCTMMP12QPCTL
SCHEMBL25425381 0.85 QPCT (0.72) QPCTMMP12QPCTL
SCHEMBL30244961 0.85 QPCT (0.72) QPCTMMP12QPCTL

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