SCHEMBL3986010

SCHEMBL3986010

COc1ccc[n+]([O-])c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA4 P22748 1/20 0.44
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9522211 0.78 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL5944803 0.78 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL18360120 0.78 IRAK4 (0.37) CA1CA2CA7CA9ALDH1A1
SCHEMBL2084120 0.76 ALDH1A1 (0.40) ALDH1A1KMT2ATSHRMAPK1LMNA
SCHEMBL31651724 0.74 CA1 (0.33) CA1CA2CA7CA9CA12
SCHEMBL2991243 0.74 CA1 (0.33) CA1CA2CA7CA9CA12
SCHEMBL1114644 0.74 CA12 (0.39) CA1CA2CA7CA9CA12
SCHEMBL2084320 0.73
SCHEMBL1003702 0.72 ACHE (0.37) CA1CA2CA7CA9CA12
SCHEMBL13040647 0.72 GPR84 (0.39) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009056886-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF FGFR ACTIVITY ASTRAZENECA AB (SE) 2009-05-07 WO disclosed
US-6610853-B1 N-(phenylsulfonyl)picolinamide derivatives, process for producing the same, and herbicide KUREHA KAGAKU KOGYO K.K. (JP) 2003-08-26 US disclosed
EP-1069112-A1 N-(PHENYLSULFONYL) PICOLINAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-01-17 EP disclosed
US-4797486-A ANTIPROTOZOA AGENTS PFIZER INC. (US) 1989-01-10 US disclosed
US-4758579-A e.g. pantoprazole or pantoprazole sodium BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1988-07-19 US disclosed
US-4725599-A POULTRY PFIZER INC. (US) 1988-02-16 US disclosed
US-4686230-A Picoline derivative useful as gastric acid secretion inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-08-11 US disclosed