SCHEMBL20656202

SCHEMBL20656202

O=c1[nH]c2ncn(Cc3ccccc3)c2c(=O)n1CCCOC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNOT7 Q9UIV1 7/20 0.50
▸ PARN O95453 1/20 0.50
▸ P2RX3 P56373 8/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL22105580 0.82 LMNA (0.49) CNOT7P2RX3MEN1KMT2ALMNA
SCHEMBL20652797 0.80 HIF1A (0.46) P2RX3MEN1KMT2ALMNATHRB
SCHEMBL20656191 0.79 CNOT7 (0.38) CNOT7P2RX3MEN1KMT2A
SCHEMBL20656028 0.77 CNOT7 (0.36) CNOT7P2RX3MEN1KMT2A
SCHEMBL16058231 0.75 ADORA2B (0.55) P2RX3MEN1KMT2A
SCHEMBL20655999 0.74 P2RX3 (0.45) P2RX3
SCHEMBL22105587 0.74 P2RX3 (0.47) P2RX3MEN1KMT2ALMNATHRB
SCHEMBL20656007 0.73 P2RX3 (0.44) P2RX3LMNATHRBNPSR1L3MBTL1
SCHEMBL20652795 0.72 P2RX3 (0.47) P2RX3KMT2ANPSR1L3MBTL1
SCHEMBL17538686 0.72 KDM4C (0.39) P2RX3MEN1KMT2AL3MBTL1

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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