SCHEMBL1673358

SCHEMBL1673358

CCC(c1ccccc1)N(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(C(=O)OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 4/20 0.52
TSHR P16473 1/20 0.48
BMP1 P13497 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
OPRK1 P41145 1/20 0.43
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
HTT P42858 1/20 0.41
EEF2K O00418 1/20 0.41

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
SCHEMBL1287310 0.92 TAS2R14 (0.56) TAS2R14BMP1KDM4EALDH1A1PSEN1
SCHEMBL1287358 0.90 TAS2R14 (0.64) TAS2R14TSHRPSEN1PSEN2APH1B
SCHEMBL15388045 0.89 TAS2R14 (0.61) TAS2R14BMP1KDM4EALDH1A1PSEN1
SCHEMBL15396091 0.88 POLB (0.56) TAS2R14BMP1KDM4EALDH1A1PSEN1
SCHEMBL1673452 0.87 TAS2R14 (0.55) TAS2R14BMP1KDM4EALDH1A1POLB
SCHEMBL15388033 0.87 PSEN1 (0.54) TAS2R14BMP1KDM4EALDH1A1PSEN1
SCHEMBL15388094 0.87 PSEN1 (0.59) TAS2R14BMP1KDM4EALDH1A1PSEN1
SCHEMBL1674548 0.87 PSEN1 (0.54) TAS2R14BMP1KDM4EALDH1A1PSEN1
SCHEMBL15387949 0.87 PSEN1 (0.59) TAS2R14BMP1KDM4EALDH1A1PSEN1
SCHEMBL5121744 0.86 TAS2R14 (0.51) TAS2R14TSHRBMP1KDM4EALDH1A1

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