SCHEMBL798142

SCHEMBL798142

Cc1cc(N2CCCCC2)ccc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
MEN1 O00255 7/20 0.46
KMT2A Q03164 7/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
TNNI3 P19429 1/20 0.46
TNNT2 P45379 1/20 0.46
TNNC1 P63316 1/20 0.46
ALDH1A1 P00352 8/20 0.46
MAPT P10636 8/20 0.46
ALOX15 P16050 4/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
GAA P10253 3/20 0.46
S100B P04271 2/20 0.46
TERT O14746 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 2/20 0.46
PKM P14618 1/20 0.46
ADRB1 P08588 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
SCHEMBL6826402 0.85 HPGD (0.50) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8390975 0.82 ADRB1 (0.66) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL22818552 0.82 ADRB1 (0.66) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL30206103 0.81 MAPT (0.58) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL806757 0.81 MAPT (0.58) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL2874530 0.81 ADRB1 (0.71) LMNAALDH1A1HTTADRB1KDM4E
SCHEMBL6273294 0.81 GAA (0.65) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6223137 0.81 GAA (0.65) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8864170 0.81 GAA (0.65) HPGDMEN1KMT2ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL2874114 0.80 ADRB1 (0.69) MAPTHTTADRB1TP53THRB

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed