SCHEMBL6997478

SCHEMBL6997478

CN1C(=O)C(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)=C(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.60
CA9 Q16790 3/20 0.60
CA2 P00918 1/20 0.60
RECQL P46063 1/20 0.46
CREBBP Q92793 2/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
PTGS2 P35354 1/20 0.41
ACLY P53396 1/20 0.41
KMT2A Q03164 2/20 0.41
HTR6 P50406 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NOD1 Q9Y239 4/20 0.40
CXCL8 P10145 1/20 0.40
NOD2 Q9HC29 3/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL7001508 0.83 CA12 (0.51) CA12CA9CA2RECQLCREBBP
SCHEMBL6993208 0.82 CA12 (0.58) CA12CA9CA2RECQLCREBBP
SCHEMBL3558164 0.79 CA12 (0.78) CA12CA9CA2RECQLCREBBP
SCHEMBL1177272 0.76 CA12 (0.58) CA12CA9CA2RECQLCREBBP
SCHEMBL3563271 0.76 CA12 (0.56) CA12CA9CA2RECQLALDH1A1
SCHEMBL28414154 0.74 CA12 (0.71) CA12CA9CA2ALDH1A1PTGS2
SCHEMBL6990241 0.74 CA12 (0.40) CA12CA9CA2RECQLCREBBP
SCHEMBL5358792 0.74 CA12 (0.62) CA12CA9CA2RECQLCREBBP
SCHEMBL6996060 0.74 CA12 (0.42) CA12CA9CA2RECQLCREBBP
SCHEMBL7004177 0.74 CA12 (0.44) CA12CA9CA2RECQLCREBBP

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-1109785-B1 INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF MALIGNANT AND OTHER DISEASES CAUSED BY PATHOLOGICAL CELL PROLIFERATION ZENTARIS AG (DE) 2003-01-02 EP disclosed