SCHEMBL4869049

SCHEMBL4869049

NC(=O)c1[nH]c2ccc([AsH2])cc2c1S(=O)(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.43
GAA P10253 1/20 0.42
KDM4E B2RXH2 4/20 0.41
EGFR P00533 2/20 0.39
JAK2 O60674 1/20 0.39
ERBB2 P04626 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 5/20 0.38
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.37
CASP3 P42574 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2351105 0.87 MAP2 (0.44) MAP2GAAKDM4EEGFRJAK2
SCHEMBL2931274 0.87 MAP2 (0.44) MAP2GAAKDM4EEGFRJAK2
SCHEMBL2930507 0.86 MAP2 (0.43) MAP2GAAKDM4EEGFRJAK2
SCHEMBL2926359 0.86 MAP2 (0.46) MAP2GAAKDM4EEGFRJAK2
SCHEMBL2927095 0.86 ALDH1A1 (0.44) MAP2GAAKDM4EEGFRHSD17B10
SCHEMBL2927126 0.86 MAP2 (0.59) MAP2GAAKDM4EEGFRJAK2
SCHEMBL2929735 0.84 GAA (0.48) MAP2GAAKDM4EEGFRJAK2
SCHEMBL2923789 0.84 ALDH1A1 (0.46) MAP2GAAKDM4EEGFRJAK2
SCHEMBL2924267 0.84 MAP2 (0.41) MAP2GAAKDM4EEGFRJAK2
SCHEMBL2925200 0.84 GAA (0.49) MAP2GAAKDM4EEGFRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2008-06-11 EP disclosed
EP-1534695-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2005-06-01 EP disclosed
WO-2004014851-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-02-19 WO disclosed