SCHEMBL13284033

SCHEMBL13284033

C/C=C/c1cccc2c1CN(C(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.40
▸ TRAP1 Q12931 7/20 0.36
▸ DPP8 Q6V1X1 2/20 0.36
▸ DPP9 Q86TI2 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ ABHD6 Q9BV23 2/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ CXCR5 P32302 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ HSP90B1 P14625 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ UCHL1 P09936 1/20 0.32

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
SCHEMBL26923080 0.84 HSP90AA1 (0.40) NOTUMTRAP1DPP8DPP9DPP7
SCHEMBL20310026 0.83 NOTUM (0.37) NOTUMTRAP1DPP8DPP9DPP7
SCHEMBL7946982 0.78 TRAP1 (0.52) NOTUMTRAP1DPP8DPP9DPP7
SCHEMBL13284584 0.77 NAMPT (0.35) DPP8DPP9DPP7NAMPTMEN1
SCHEMBL28838781 0.76 LMNA (0.51) —
SCHEMBL16637906 0.75 TRAP1 (0.43) NOTUMTRAP1ABHD6HSP90B1
SCHEMBL13284596 0.74 HSP90AA1 (0.33) DPP8DPP9DPP7ABHD6
SCHEMBL13284260 0.74 LMNA (0.36) DPP8DPP9DPP7NAMPTHPGD
SCHEMBL28245906 0.74 MAPT (0.43) NOTUMABHD6MAPTMEN1KMT2A
SCHEMBL28246667 0.74 MAPT (0.43) NOTUMABHD6MAPTMEN1KMT2A

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-2010080389-A1 HCV NS3 PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2010-07-15 — — WO disclosed
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