SCHEMBL8364400

SCHEMBL8364400

COC(=O)c1ccc(CN(C2CCCN(C(=O)C3CC3)C2)S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
TSHR P16473 3/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
TAS2R14 Q9NYV8 2/20 0.47
AVPR1B P47901 4/20 0.46
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.45
MMP1 P03956 2/20 0.45
MMP9 P14780 2/20 0.45
MMP13 P45452 2/20 0.45
PTGES O14684 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL8364399 0.98 ALDH1A1 (0.53) ALDH1A1TSHRCNR1CNR2MEN1
SCHEMBL8364380 0.97 ALDH1A1 (0.54) ALDH1A1TSHRCNR1CNR2MEN1
SCHEMBL8364214 0.96 CNR1 (0.54) ALDH1A1TSHRCNR1CNR2MEN1
SCHEMBL8364321 0.91 KDM4E (0.45) ALDH1A1TSHRMEN1LMNAMAPT
SCHEMBL8363837 0.91 CNR1 (0.52) ALDH1A1TSHRCNR1CNR2MEN1
SCHEMBL8363854 0.89 CNR1 (0.53) ALDH1A1TSHRCNR1CNR2MEN1
SCHEMBL8363847 0.89 TSHR (0.50) ALDH1A1TSHRCNR1CNR2MEN1
SCHEMBL8364397 0.87 CNR1 (0.51) ALDH1A1TSHRCNR1CNR2MEN1
SCHEMBL8363838 0.86 CNR1 (0.50) ALDH1A1TSHRCNR1CNR2MEN1
SCHEMBL8363853 0.86 TSHR (0.50) ALDH1A1TSHRCNR1CNR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003013527-A1 SULFONAMIDE DERIVATIVES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2003-02-20 WO disclosed