SCHEMBL6621083

SCHEMBL6621083

CCOC(=O)c1cc(CCBr)cc(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.44
RARA P10276 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL3510029 0.84 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6617310 0.81 CA12 (0.51) NPC1SMN1; SMN2CYP4F2CYP4A11CYP1A2
SCHEMBL6208075 0.81 CA12 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL15557036 0.80 CYP2C9 (0.55) RAB9ANPC1MEN1KMT2ACYP1A2
SCHEMBL6618564 0.80 CA12 (0.50) NPC1CYP4F2CYP4A11CYP1A2
SCHEMBL5650127 0.79 CYP4F2 (0.71) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9468569 0.77 CA12 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2404818 0.76 NPC1 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
Biphenyl SCHEMBL927814 0.76 MEN1 (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
Biphenyl SCHEMBL27937069 0.76 MEN1 (0.72) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683781-B1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE METABASIS THERAPEUTICS INC (US) 2004-04-21 EP disclosed
US-5731432-A Inhibitors of adenosine monophosphate deaminase GENSIA SICOR INC. (US) 1998-03-24 US disclosed
EP-0683781-A4 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE. GENSIA PHARMA (US) 1997-05-28 EP disclosed
EP-0683781-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA PHARMACEUTICALS, INC. (US) 1995-11-29 EP disclosed
WO-1994018200-A1 NOVEL INHIBITORS OF ADENOSINE MONOPHOSPHATE DEAMINASE GENSIA, INC. (US) 1994-08-18 WO disclosed