SCHEMBL7079640

SCHEMBL7079640

CC(C)(C)c1nc(CCO)cs1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.42
KLKB1 P03952 1/20 0.32
TP53 P04637 1/20 0.31
COMT P21964 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PKM P14618 1/20 0.30
PLA2G7 Q13093 1/20 0.30
SCD O00767 1/20 0.30

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
SCHEMBL10223189 0.84 HRH1 (0.44) HRH1KLKB1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21419245 0.82 HRH1 (0.43) HRH1KLKB1ALDH1A1PKM
SCHEMBL6676408 0.81 HRH1 (0.42) HRH1KLKB1SMN1; SMN2PKM
SCHEMBL12667263 0.79 HRH1 (0.41) HRH1
SCHEMBL11926965 0.78 HRH1 (0.45) HRH1KLKB1
SCHEMBL3760695 0.76 HRH1 (0.44) HRH1ALDH1A1HPGDSMN1; SMN2
SCHEMBL442074 0.76 HRH1 (0.44) HRH1KLKB1
SCHEMBL12926881 0.76 HRH1 (0.44) HRH1KLKB1
SCHEMBL5524100 0.74 HSD17B10 (0.56) HRH1ALDH1A1HPGDSMN1; SMN2
SCHEMBL1107385 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed