SCHEMBL4868049

SCHEMBL4868049

CN(C)CCC1CCN(S(=O)(=O)c2c(C(=O)[AsH2])[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.38
PROKR1 Q8TCW9 3/20 0.38
MAP2 P11137 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 3/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
HTR6 P50406 1/20 0.36
MPO P05164 2/20 0.36
XDH P47989 2/20 0.36
PTGS2 P35354 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL2929461 0.91 MAP2 (0.46) FPR2PROKR1MAP2EPHX2ADRA2A
SCHEMBL4023407 0.75 MAP2 (0.43) MAP2PTGS2KDM4ETSHRHSD17B10
SCHEMBL3611987 0.74 MAP2 (0.47) MAP2KDM4ETSHRHSD17B10
SCHEMBL2928734 0.71 MAP2 (0.51) MAP2ALOX15PTGS2TSHRALDH1A1
SCHEMBL2927238 0.71 MAP2 (0.54) MAP2ALOX15PTGS2HTTTSHR
SCHEMBL3617971 0.70 MAP2 (0.46) MAP2KDM4ETSHRHSD17B10
SCHEMBL2924539 0.70 MAP2 (0.53) MAP2ALOX15PTGS2HTTGAA
SCHEMBL2929668 0.70 MAP2 (0.44) MAP2PTGS2KDM4EALDH1A1
SCHEMBL2923342 0.69 PTGS2 (0.49) MAP2PTGS2
SCHEMBL13765393 0.69 MAP2 (0.45) MAP2LMNATP53SMN1; SMN2PTGS2

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