SCHEMBL458061

SCHEMBL458061

CCc1cc(C)cc(CC)c1C(=O)C(=O)N(C)N=C(C)CS(=O)(=O)c1ccccc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 3/20 0.33
HCRTR2 O43614 1/20 0.33
TP53 P04637 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
JAK2 O60674 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30
KCNJ6 P48051 1/20 0.30
KCNJ5 P48544 1/20 0.30
KCNJ3 P48549 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19847864 0.84 ALDH1A1 (0.41) ALDH1A1KMT2APOLB
SCHEMBL12503745 0.84 ALDH1A1 (0.41) ALDH1A1KMT2APOLB
SCHEMBL15063712 0.83
SCHEMBL19847976 0.78
SCHEMBL15086640 0.76
SCHEMBL470077 0.76
SCHEMBL454629 0.76 SIGMAR1 (0.30)
SCHEMBL456209 0.76 G6PC1 (0.38) ALDH1A1KMT2APOLB
SCHEMBL19847881 0.76 G6PC1 (0.38) ALDH1A1KMT2APOLB
SCHEMBL455627 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed