SCHEMBL8874763

SCHEMBL8874763

CCOC(=O)CN(C(=O)CN)C(=O)c1ncc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cc1OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 2/20 0.35
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
POLB P06746 1/20 0.34
BCL2L1 Q07817 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL8875945 0.92 MAPT (0.43) MAPTNPSR1CA12CA1CA2
SCHEMBL8098569 0.90 MAPT (0.40) MAPTNPSR1KDM4ECA12CA1
SCHEMBL8098573 0.83 MAPT (0.42) MAPTNPSR1CA12CA1CA2
SCHEMBL8917687 0.81 MAPT (0.45) MAPTNPSR1CA12CA1CA2
SCHEMBL8875576 0.78 MAPT (0.49) MAPTNPSR1CA12CA1CA2
SCHEMBL8768350 0.75 MAPT (0.44) MAPTNPSR1CA12CA1CA2
SCHEMBL8875047 0.74 SMN1; SMN2 (0.36) MAPTKMT2ALMNASMN1; SMN2PTGS2
SCHEMBL9140513 0.73 MAPT (0.50) MAPTCA12CA1CA2CA9
SCHEMBL8868264 0.73 MAPT (0.52) MAPTCA12CA1CA2CA9
SCHEMBL9137896 0.72 MAPT (0.55) MAPTNPSR1CA12CA1CA2

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
US-5620996-A Sulfonamidocarbonyl pyridine-2-carboxesteramides and their pyridine-N-oxide compounds and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed