SCHEMBL21616255

SCHEMBL21616255

COC(=O)c1cc(OC2CCB(C#N)CC2)c(OCSC)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL21612838 0.82 SIRT6 (0.39) PDE5ALMNASIRT6MAPTALDH1A1
SCHEMBL23355348 0.79 PDE4B (0.43) LMNASIRT6MAPTALDH1A1
SCHEMBL30203345 0.79 PDE4B (0.43) LMNASIRT6MAPTALDH1A1
SCHEMBL21616272 0.73 KDM4E (0.43) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL31151910 0.73 CTSV (0.46) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL23355345 0.71 MAPT (0.44) PDE5ALMNASIRT6MAPTMEN1
SCHEMBL21616249 0.71 DTYMK (0.33) PDE5AMAPTMEN1KMT2APKM
SCHEMBL31151988 0.71 PDE5A (0.43) PDE5ALMNASIRT6MAPTPDGFRB
SCHEMBL31145791 0.71 PDE5A (0.43) PDE5ALMNASIRT6MAPTPDGFRB
SCHEMBL23355304 0.70 SIRT6 (0.41) PDE5ALMNASIRT6MAPTPDGFRB

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-2020009156-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVE 第一三共株式会社 2020-01-09 — — WO disclosed
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