SCHEMBL20656191

SCHEMBL20656191

C/C=C\C=C(/C)Cn1cnc2[nH]c(=O)n(CCCOC3CCCCO3)c(=O)c21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNOT7 Q9UIV1 4/20 0.38
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ P2RX3 P56373 8/20 0.34
▸ TGFBR1 P36897 2/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL20656028 0.83 CNOT7 (0.36) CNOT7MEN1KMT2AP2RX3TGFBR1
SCHEMBL20656222 0.80 P2RX3 (0.34) P2RX3
SCHEMBL20656202 0.79 CNOT7 (0.50) CNOT7MEN1KMT2AP2RX3
SCHEMBL16058231 0.71 ADORA2B (0.55) MEN1KMT2AP2RX3TLR7
SCHEMBL20656029 0.71 P2RX3 (0.35) P2RX3
SCHEMBL20656229 0.70 P2RX3 (0.34) P2RX3
SCHEMBL20656228 0.69 MEN1 (0.32) MEN1KMT2A
SCHEMBL20656186 0.68 MEN1 (0.33) MEN1KMT2AP2RX3TGFBR1TGFBR2
SCHEMBL17538686 0.68 KDM4C (0.39) MEN1KMT2AP2RX3TLR7
SCHEMBL16364056 0.66 P2RX3 (0.35) MEN1KMT2AP2RX3TGFBR1TGFBR2

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-2019011802-A1 NOVEL SUBSTITUTED XANTHINE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-01-17 — — WO disclosed
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