SCHEMBL6993208

SCHEMBL6993208

O=C1NC(=O)C(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)=C1c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.58
CA9 Q16790 3/20 0.58
CA2 P00918 1/20 0.58
CREBBP Q92793 2/20 0.49
RECQL P46063 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HTR6 P50406 1/20 0.42
KMT2A Q03164 1/20 0.42
ACLY P53396 2/20 0.42
NOD1 Q9Y239 2/20 0.41
CXCL8 P10145 1/20 0.41
CCR2 P41597 1/20 0.40
SRC P12931 1/20 0.40
HDAC3 O15379 2/20 0.39

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
SCHEMBL6997478 0.82 CA12 (0.60) CA12CA9CA2CREBBPRECQL
SCHEMBL3558164 0.80 CA12 (0.78) CA12CA9CA2CREBBPRECQL
SCHEMBL3049725 0.80 CA12 (0.52) CA12CA9CA2CREBBPRECQL
SCHEMBL7001508 0.77 CA12 (0.51) CA12CA9CA2CREBBPRECQL
SCHEMBL1177272 0.74 CA12 (0.58) CA12CA9CA2CREBBPRECQL
SCHEMBL3563271 0.73 CA12 (0.56) CA12CA9CA2RECQLALDH1A1
SCHEMBL28228343 0.73 CA12 (0.56) CA12CA9CA2RECQLALDH1A1
SCHEMBL4124528 0.73 CA12 (0.53) CA12CA9CA2CREBBPRECQL
SCHEMBL30035312 0.73 CA12 (0.53) CA12CA9CA2CREBBPRECQL
SCHEMBL5716839 0.72 CA12 (0.55) CA12CA9CA2CREBBPRECQL

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