SCHEMBL1674875

SCHEMBL1674875

CCc1ccc(C(C)N(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.70
PSEN2 P49810 1/20 0.70
APH1B Q8WW43 1/20 0.70
NCSTN Q92542 1/20 0.70
APH1A Q96BI3 1/20 0.70
PSENEN Q9NZ42 1/20 0.70
TAS2R14 Q9NYV8 10/20 0.64
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CXCR3 P49682 1/20 0.56
POLB P06746 2/20 0.51
TP53 P04637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BMP1 P13497 1/20 0.47
CNR2 P34972 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1674459 0.95 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15387877 0.95 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1673453 0.91 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15387965 0.91 TAS2R14 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1287376 0.91 TAS2R14 (0.76) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15396114 0.88 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1287432 0.86 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1674648 0.85 TAS2R14 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15396115 0.84 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15388003 0.84 TAS2R14 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A

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-2012047926-A2 SULFONAMIDE-CONTAINING COMPOUNDS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-04-12 WO disclosed