SCHEMBL6996060

SCHEMBL6996060

O=C1C(c2cc3ccccc3[nH]2)=C(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C(=O)N1CCBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.42
CA9 Q16790 4/20 0.42
CA2 P00918 2/20 0.42
CREBBP Q92793 2/20 0.36
RECQL P46063 1/20 0.35
CA1 P00915 1/20 0.34
KDR P35968 3/20 0.34
ACLY P53396 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
IDO1 P14902 1/20 0.33
ATR Q13535 2/20 0.33
ATRIP Q8WXE1 2/20 0.33
KDM4E B2RXH2 2/20 0.32
CHEK1 O14757 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL7004177 0.90 CA12 (0.44) CA12CA9CA2CREBBPRECQL
SCHEMBL7001508 0.89 CA12 (0.51) CA12CA9CA2CREBBPRECQL
SCHEMBL6990241 0.88 CA12 (0.40) CA12CA9CA2CREBBPRECQL
SCHEMBL7003019 0.81 KDR (0.46) CA12CA9CA2CA1KDR
SCHEMBL6997478 0.74 CA12 (0.60) CA12CA9CA2CREBBPRECQL
SCHEMBL6993208 0.70 CA12 (0.58) CA12CA9CA2CREBBPRECQL
SCHEMBL14577242 0.70 CA12 (0.49) CA12CA9CA2RECQLACLY
SCHEMBL6999579 0.66 HEXA (0.49) KDRLMNAMAPTCHEK1NPC1
SCHEMBL3558164 0.66 CA12 (0.78) CA12CA9CA2CREBBPRECQL
SCHEMBL6999914 0.64 KDR (0.53) CA12CA9CA2CA1KDR

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