SCHEMBL5566545

SCHEMBL5566545

Cc1cc(N(Cc2ccccc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2OCc2ccccc2)c(C)c(N2CCCC2)c1C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACLY P53396 6/20 0.44
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CNR2 P34972 4/20 0.36
HPD P32754 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
CNR1 P21554 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL533065 0.88 ACLY (0.42) ACLYMEN1KMT2AALDH1A1MRGPRX4
SCHEMBL14228217 0.64 HTR1D (0.44) MEN1KMT2AALDH1A1LMNA
SCHEMBL29202172 0.62 MRGPRX4 (0.52) MEN1KMT2AALDH1A1MRGPRX4LMNA
SCHEMBL21931121 0.61 ACLY (1.00) ACLYMEN1KMT2AALDH1A1LMNA
SCHEMBL21999819 0.61 ACLY (0.64) ACLYMEN1KMT2AALDH1A1
SCHEMBL14200016 0.58 GLRA1 (0.43) MEN1KMT2AALDH1A1KDM4E
SCHEMBL257799 0.58 MAPK1 (0.51) MEN1KMT2AALDH1A1MRGPRX4LMNA
SCHEMBL6080377 0.57 LMNA (0.47) MEN1KMT2AALDH1A1MRGPRX4LMNA
SCHEMBL21999821 0.57 ACLY (0.81) ACLYMEN1KMT2A
SCHEMBL533676 0.57 ACLY (0.46) ACLYMEN1KMT2AALDH1A1LMNA

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-1610753-A4 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC (US) 2007-07-04 EP disclosed
EP-1610753-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2006-01-04 EP disclosed
WO-2004073634-A2 PHENYLENEDIAMINE UROTENSIN-II RECEPTOR ANTAGONISTS AND CCR-9 ANTAGONISTS ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-02 WO disclosed