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
SCHEMBL2874530 0.81 ADRB1 (0.71) LMNAALDH1A1HTTADRB1KDM4E
SCHEMBL30206103 0.81 MAPT (0.58) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL806757 0.81 MAPT (0.58) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6223137 0.81 GAA (0.65) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL8864170 0.81 GAA (0.65) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL6273294 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
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