SCHEMBL7004177

SCHEMBL7004177

NCCN1C(=O)C(c2cc3ccccc3[nH]2)=C(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA9 Q16790 4/20 0.44
CA2 P00918 2/20 0.44
PRKD3 O94806 5/20 0.38
PRKCG P05129 5/20 0.38
PRKCB P05771 5/20 0.38
PRKCA P17252 5/20 0.38
PRKCH P24723 5/20 0.38
PRKCI P41743 5/20 0.38
PRKCE Q02156 5/20 0.38
PRKCQ Q04759 5/20 0.38
PRKCZ Q05513 5/20 0.38
PRKCD Q05655 5/20 0.38
PRKD1 Q15139 5/20 0.38
PRKACA P17612 2/20 0.38
PRKACG P22612 2/20 0.38
PRKACB P22694 2/20 0.38
CREBBP Q92793 2/20 0.36
CA1 P00915 1/20 0.36
RECQL P46063 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
SCHEMBL6996060 0.90 CA12 (0.42) CA12CA9CA2PRKD3PRKCG
SCHEMBL6990241 0.88 CA12 (0.40) CA12CA9CA2CREBBPRECQL
SCHEMBL7001508 0.78 CA12 (0.51) CA12CA9CA2CREBBPRECQL
SCHEMBL6997478 0.74 CA12 (0.60) CA12CA9CA2CREBBPRECQL
SCHEMBL6993208 0.70 CA12 (0.58) CA12CA9CA2CREBBPRECQL
SCHEMBL14577242 0.70 CA12 (0.49) CA12CA9CA2RECQLALDH1A1
SCHEMBL7003019 0.69 KDR (0.46) CA12CA9CA2PRKD3PRKCG
SCHEMBL6999579 0.66 HEXA (0.49) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL3558164 0.66 CA12 (0.78) CA12CA9CA2CREBBPRECQL
SCHEMBL7506853 0.64 CHEK1 (0.53) CA12CA9CA2PRKD3PRKCG

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