SCHEMBL16498309

SCHEMBL16498309

O=C(O)c1ccc2c(C3CCCCC3)n(-c3ccccc3)nc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ NSD1 Q96L73 1/20 0.38
▸ NSD3 Q9BZ95 1/20 0.38

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
SCHEMBL16512391 0.81 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2KMT2AL3MBTL1
SCHEMBL16498230 0.76 KEAP1 (0.44) KEAP1NFE2L2SMN1; SMN2KMT2AL3MBTL1
SCHEMBL16499203 0.76 L3MBTL1 (0.46) SMN1; SMN2KMT2AL3MBTL1KDM4ETDP1
SCHEMBL16498257 0.76 CHEK1 (0.47) KEAP1NFE2L2SMN1; SMN2L3MBTL1LMNA
SCHEMBL16499092 0.74 CHEK1 (0.48) KEAP1NFE2L2SMN1; SMN2L3MBTL1LMNA
SCHEMBL19465582 0.74 CFTR (0.54) KDM4ECFTRRPA1ALDH1A1
SCHEMBL16498311 0.74 CYP2C19 (0.50) SMN1; SMN2KMT2AL3MBTL1MEN1RPA1
SCHEMBL3494109 0.72 POLB (0.55) KEAP1NFE2L2SMN1; SMN2KMT2AL3MBTL1
SCHEMBL27805034 0.72 LMNA (0.48) KEAP1NFE2L2SMN1; SMN2KMT2ALMNA
SCHEMBL29042737 0.72 NPC1 (0.47) KEAP1NFE2L2SMN1; SMN2L3MBTL1HTT

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
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 — — WO disclosed
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