SCHEMBL10181030

SCHEMBL10181030

CC[C@@H](C(=O)N1CCN(c2ncccn2)CC1)n1cc(COc2ccc3nc(S(N)(=O)=O)sc3c2)nn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.45
CA1 P00915 6/20 0.45
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
CA7 P43166 2/20 0.45
CA4 P22748 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CA3 P07451 1/20 0.45
PKM P14618 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45

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
SCHEMBL3740581 0.91 CA2 (0.51) CA2CA1CA12CA9CA7
SCHEMBL3740585 0.91 CA2 (0.51) CA2CA1CA12CA9CA7
SCHEMBL3746426 0.91 CA2 (0.45) CA2CA1CA12CA9CA7
SCHEMBL3746424 0.91 CA2 (0.45) CA2CA1CA12CA9CA7
SCHEMBL3730887 0.84 CA2 (0.49) CA2CA1CA12CA9CA7
SCHEMBL3730891 0.84 CA2 (0.49) CA2CA1CA12CA9CA7
SCHEMBL3729993 0.83 LMNA (0.46) CA2CA1CA12CA9CA7
SCHEMBL3729987 0.83 LMNA (0.46) CA2CA1CA12CA9CA7
SCHEMBL3730236 0.80 CA2 (0.51) CA2CA1CA12CA9CA7
SCHEMBL3730239 0.80 CA2 (0.51) CA2CA1CA12CA9CA7

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
EP-2468734-A1 Development of molecular imaging probes for carbonic anhydrase-IX using click chemistry Siemens Medical Solutions USA, Inc. (US) 2012-06-27 EP disclosed