SCHEMBL6673841

SCHEMBL6673841

NC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
CA9 Q16790 3/20 0.57
CA14 Q9ULX7 1/20 0.57
POLB P06746 1/20 0.57
NFKB1 P19838 3/20 0.55
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
TXN P10599 1/20 0.51
AURKA O14965 4/20 0.51
AURKB Q96GD4 3/20 0.51
MAPK8 P45983 1/20 0.50
MAPK10 P53779 1/20 0.50
PDE4B Q07343 1/20 0.50
EGFR P00533 1/20 0.50
KDR P35968 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
SCHEMBL13852882 0.97 POLB (0.61) CA12CA1CA2CA9CA14
SCHEMBL14374438 0.89 POLB (0.54) CA12CA1CA2CA9CA14
SCHEMBL17630275 0.85 AURKA (0.54) POLBAURKAAURKBMAPK8MAPK10
SCHEMBL4094573 0.84 NFKB1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL8911586 0.83 NPC1 (0.66) CA12CA1CA2CA9CA14
SCHEMBL4938552 0.83 NFKB1 (0.55) CA12CA1CA2CA9CA14
SCHEMBL11837292 0.81 NFKB1 (0.78) CA12CA1CA2CA9CA14
SCHEMBL21925306 0.81 AURKA (0.52) MAPTMEN1KMT2AAURKAAURKB
SCHEMBL304437 0.81 POLB (0.63) CA12CA1CA2CA9CA14
SCHEMBL6674873 0.80 CA12 (0.53) CA12CA1CA2CA9CA14

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-2004035199-A1 AFFINITY ADSORBENTS FOR IMMUNOGLOBULINS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2004-04-29 WO disclosed