SCHEMBL8916374

SCHEMBL8916374

COc1cc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCc3ccc(F)cc3)cc2)cnc1C(=O)NCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NLRP3 Q96P20 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43

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
SCHEMBL8917687 0.91 MAPT (0.45) ROCK2ROCK1MAPTTSHRCA1
SCHEMBL8916345 0.88 EGLN1 (0.51) MAPTCA1CA2CA9BCL2L1
SCHEMBL8768266 0.88 ROCK2 (0.46) ROCK2ROCK1MAPTTSHRALDH1A1
SCHEMBL8915470 0.83 LMNA (0.49) MAPTTSHRALDH1A1CA1CA2
SCHEMBL8867801 0.83 MAPT (0.52) MAPTTSHRCA1CA2CA9
SCHEMBL8915935 0.82 PTGS2 (0.51) MCL1PTGS1PTGS2
SCHEMBL8868966 0.82 TSHR (0.58) MAPTTSHRALDH1A1USP2CA1
SCHEMBL8916746 0.81 EGLN1 (0.42) CA1CA2CA9PTGS1PTGS2
SCHEMBL8768350 0.81 MAPT (0.44) ROCK2ROCK1MAPTTSHRCA1
SCHEMBL8916898 0.81 L3MBTL1 (0.52) MAPTTSHRALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7278109-A None JP disclosed
US-5610172-A Sulfonamidocarbonylpyridine-2-carboxamides and pyridine-n-oxides which are useful as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-11 US disclosed
JP-H07278109-A SULFONAMIDOCARBONYLPYRIDINE-2-CARBOXAMIDE, PYRIDINE-N-OXIDE THEREOF, PREPARATION THEREOF AND USE THEREOF AS DRUG HOECHST AG 1995-10-24 JP disclosed