SCHEMBL7943952

SCHEMBL7943952

O=C(Nc1cc(Br)ccc1O)c1cc(Br)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.60
HPGD P15428 4/20 0.58
ALOX15 P16050 2/20 0.58
CES2 O00748 1/20 0.58
GALR3 O60755 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CASP1 P29466 1/20 0.58
CYP2C19 P33261 1/20 0.58
TMPRSS4 Q9NRS4 1/20 0.57
PLAU P00749 2/20 0.56
F2 P00734 1/20 0.56
F10 P00742 1/20 0.56
PLAT P00750 1/20 0.56
MAPT P10636 3/20 0.54
GAA P10253 3/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54

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
SCHEMBL12368206 0.88 NPC1 (0.67) KCNMA1HPGDALOX15CES2GALR3
SCHEMBL9775415 0.84 HDAC1 (0.56) KCNMA1HPGDMAPTGAAKMT2A
SCHEMBL17407572 0.83 KMT2A (0.55) KCNMA1HPGDALOX15CES2GALR3
Dibromsalan SCHEMBL29496335 0.82 PLAU (0.73) HPGDALOX15CES2GALR3CYP1A2
Dibromsalan SCHEMBL646973 0.82 PLAU (0.73) HPGDALOX15CES2GALR3CYP1A2
Bromocyl SCHEMBL678320 0.81 HPGD (0.67) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL22394778 0.79 MEN1 (0.51) KCNMA1HPGDALOX15CES2GALR3
SCHEMBL30343477 0.79 TMPRSS4 (0.67) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL330113 0.79 TMPRSS4 (0.67) HPGDALOX15CES2GALR3CYP1A2
SCHEMBL7517172 0.79 PLAU (0.50) KCNMA1HPGDALOX15CES2GALR3

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
US-6255298-B1 USING AN AROMATIC AMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-07-03 US claimed
US-6255298-B1 USING AN AROMATIC AMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-07-03 US disclosed