SCHEMBL18851907

SCHEMBL18851907

ONc1ccc(O)c(NO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ IDO1 P14902 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TOP1 P11387 2/20 0.33
▸ ARG1 P05089 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.31
▸ APP P05067 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ TOP2A P11388 1/20 0.30
▸ TOP2B Q02880 1/20 0.30
▸ CA12 O43570 2/20 0.30
▸ CA1 P00915 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ CA9 Q16790 2/20 0.30

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
Pyrimidine SCHEMBL9443953 0.84 GAA (0.35) GAAGFERAPOBEC3GIDO1MEN1
SCHEMBL11405325 0.79 ARG1 (0.50) IDO1TOP1ARG1HDAC6APP
SCHEMBL13537486 0.73 ALDH1A1 (0.48) GAAGFERIDO1ALDH1A1HSD17B10
SCHEMBL21026389 0.73 CA2 (0.39) GAAIDO1ALDH1A1HDAC6MEN1
SCHEMBL12455883 0.73 HDAC6 (0.34) HDAC6
SCHEMBL21160394 0.69 KDM4E (0.59) ALDH1A1EGFRAPPKDM5ARAB9A
SCHEMBL18716965 0.69 ERN1 (0.53) —
SCHEMBL28728770 0.68 ALOX15 (0.52) GAAIDO1ALDH1A1HSD17B10ARG1
SCHEMBL6653675 0.68 ALDH1A1 (0.50) GAAALDH1A1HSD17B10EGFRMEN1
SCHEMBL6762996 0.68 GAA (0.38) GAAGFERAPOBEC3GIDO1HSD17B10

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-2017079519-A1 HETEROCYCLIC COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION (US) 2017-05-11 — — WO disclosed
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