SCHEMBL9541257

SCHEMBL9541257

O=C1N=C(Cc2ccc(Br)cc2)Cc2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SORT1 Q99523 1/20 0.36
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BCHE P06276 1/20 0.35
CES1 P23141 1/20 0.35
TDO2 P48775 1/20 0.35
RNASEH1 O60930 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6604537 0.88 SORT1 (0.46) MAOAL3MBTL1SORT1BCHECES1
SCHEMBL5214053 0.85 HTR2A (0.44) MAOASORT1BCHECES1TDO2
SCHEMBL5222708 0.82 MEN1 (0.51) TP53TDP1L3MBTL1MEN1KMT2A
SCHEMBL6602287 0.76 NR1H3 (0.39) MAOARNASEH1MEN1KMT2ATYR
SCHEMBL6046310 0.74 MAOA (0.44) MAOABCHECES1RNASEH1MEN1
SCHEMBL7264066 0.74 MAOA (0.44) MAOABCHECES1RNASEH1MEN1
SCHEMBL4774575 0.74 MAOA (0.40) MAOATP53TDP1L3MBTL1BCHE
SCHEMBL6603867 0.74 MAPT (0.47) MAOAL3MBTL1BCHECES1MEN1
SCHEMBL6600290 0.73 ALPL (0.47) L3MBTL1CHRM1CHRM3MEN1KMT2A
SCHEMBL1818127 0.72 MAOA (0.48) MAOATP53TDP1L3MBTL1BCHE

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-1993014086-A1 SUBSTITUTED 1-ISOQUINOLONE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS SYNTEX (U.S.A.) INC. (US) 1993-07-22 WO disclosed