SCHEMBL16059155

SCHEMBL16059155

Cc1ccc(Cn2cnc3c2c(=O)n(CCCO)c(=O)n3C)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ LMNA P02545 5/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PDE4A P27815 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ ACHE P22303 2/20 0.51
▸ PMP22 Q01453 2/20 0.51
▸ ESR1 P03372 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ TRPC5 Q9UL62 2/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ADORA2B P29275 3/20 0.49
▸ PDE4B Q07343 2/20 0.49
▸ PDE4C Q08493 2/20 0.49
▸ PDE4D Q08499 2/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.49
▸ ABCC8 Q09428 1/20 0.49

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
SCHEMBL30149464 0.86 LMNA (0.70) POLBHIF1ALMNAMAPK1PDE4A
SCHEMBL16028342 0.80 TRPC4 (0.56) POLBHIF1AMAPK1MAPTTRPC5
SCHEMBL16028126 0.78 TRPC5 (0.54) HIF1AMAPK1MAPTTRPC5SMN1; SMN2
SCHEMBL16028758 0.75 TRPC5 (0.65) POLBHIF1AMAPK1MAPTTRPC5
SCHEMBL7558655 0.75 POLB (0.72) POLBHIF1ALMNAMAPK1PDE4A
SCHEMBL16028209 0.75 PDE4A (0.58) POLBLMNAPDE4ACYP1A2NFKB1
SCHEMBL17619844 0.75 TRPA1 (0.74) LMNAPDE4ACYP1A2NFKB1ACHE
SCHEMBL9293614 0.75 ADORA2B (0.71) LMNAPDE4ACYP1A2NFKB1ACHE
SCHEMBL9293292 0.75 PDE4A (0.62) LMNAPDE4ACYP1A2NFKB1ACHE
SCHEMBL16364012 0.75 TRPC5 (0.55) HIF1AMAPK1CYP1A2MAPTTRPC5

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
EP-2970303-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF Hydra Biosciences, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014143799-A2 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES, INC. (US) 2014-09-18 — — WO disclosed
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