SCHEMBL16155802

SCHEMBL16155802

CCCCOc1ccc2nc(C=O)sc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.55
ATP4B P51164 6/20 0.55
LMNA P02545 3/20 0.51
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
KMT2A Q03164 2/20 0.50
CA4 P22748 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
HIF1A Q16665 1/20 0.50
CA9 Q16790 1/20 0.50
CA13 Q8N1Q1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50

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
SCHEMBL26031144 0.89 ATP4A (0.52) ATP4AATP4BCA2PKMMAPT
SCHEMBL16155795 0.87 ATP4A (0.56) ATP4AATP4BLMNAKMT2AHSD17B10
SCHEMBL16155848 0.82 ATP4A (0.54) ATP4AATP4BLMNACA1CA2
SCHEMBL4273826 0.81 CYP1A2 (0.59) KMT2ATSHRTP53CYP3A4SMN1; SMN2
SCHEMBL16155847 0.80 KMT2A (0.54) ATP4AATP4BLMNACA1CA2
SCHEMBL12111155 0.80 TDP1 (0.57) ATP4AATP4BLMNACA1CA2
SCHEMBL16155812 0.80 ATP4A (0.52) ATP4AATP4BLMNACA1CA2
SCHEMBL16155843 0.80 ATP4A (0.52) ATP4AATP4BLMNACA1CA2
SCHEMBL16150510 0.78 CA2 (0.66) CA1CA2CA12CA7CA9
SCHEMBL6691013 0.78 TSHR (0.52) ATP4AATP4BLMNACA1CA2

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-2014162157-A1 DERIVATIVES OF LUCIFERIN UCL BUSINESS PLC (GB) 2014-10-09 WO disclosed