SCHEMBL12812830

SCHEMBL12812830

CCNc1ccc([C@H]2CN(Cc3ccc(OC)cc3)C(=O)N2c2ccc3[nH]cnc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 14/20 0.42
▸ QPCTL Q9NXS2 3/20 0.42
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KCNA5 P22460 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL12733047 0.87 QPCT (0.42) QPCTQPCTLNPC1KDM4EMAPT
SCHEMBL12812820 0.82 HDAC1 (0.39) MMP1MMP13KMT2AHDAC1KCNA5
SCHEMBL1444538 0.81 QPCT (0.56) QPCTQPCTL
SCHEMBL12733267 0.79 QPCT (0.49) QPCTQPCTL
SCHEMBL29410457 0.78 QPCT (0.53) QPCTQPCTL
SCHEMBL1673351 0.78 QPCT (0.53) QPCTQPCTL
SCHEMBL1444517 0.78 QPCT (0.46) QPCTQPCTLKMT2A
SCHEMBL12733251 0.77 QPCT (0.47) QPCTQPCTL
SCHEMBL12813772 0.77 QPCT (0.47) QPCTQPCTL
SCHEMBL12812822 0.76 QPCT (0.60) QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 — — WO disclosed
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