SCHEMBL2490936

SCHEMBL2490936

CN(C)C(c1ccc(Cl)cc1)C1CCC(CNC(=O)Oc2c(N(C)S(=O)(=O)c3ccc(Cl)c(Cl)c3)sc3c2CCCC3)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CNR2 P34972 1/20 0.34
LMNA P02545 5/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 3/20 0.32
MAPK1 P28482 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
CXCR3 P49682 2/20 0.32
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL2488269 0.95 PSEN1 (0.35) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL2490758 0.94 SPPL2A (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL2487478 0.89 ALDH1A1 (0.34) ALDH1A1MAPTCNR2LMNAGAA
SCHEMBL2487066 0.84 SPPL2A (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL643082 0.83 MAPT (0.36) ALDH1A1MAPTCNR2LMNAGAA
SCHEMBL644426 0.78 LMNA (0.35) ALDH1A1MAPTCNR2LMNAGAA
SCHEMBL643063 0.74 CXCR3 (0.42) ALDH1A1LMNASMN1; SMN2CXCR3KMT2A
SCHEMBL642926 0.73 OPRL1 (0.34) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL493188 0.73 SPPL2A (0.36) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL644323 0.72 KIF11 (0.39) ALDH1A1MAPTCNR2LMNAGAA

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-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed