SCHEMBL5804635

SCHEMBL5804635

O=C(CCBr)Nc1cccc2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
ALDH1A1 P00352 2/20 0.68
MAPT P10636 2/20 0.68
KMT2A Q03164 2/20 0.68
POLB P06746 1/20 0.68
GAA P10253 1/20 0.68
DNMT1 P26358 1/20 0.68
RAD52 P43351 1/20 0.68
SMARCA2 P51531 1/20 0.68
TERT O14746 12/20 0.63
MAOA P21397 1/20 0.61
PTPRC P08575 1/20 0.58
PTPN13 Q12923 1/20 0.58
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
RAB9A P51151 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL5802905 0.92 MEN1 (0.65) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL14579485 0.88 MAOA (0.65) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL8700766 0.85 MEN1 (0.64) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL8707320 0.83 MEN1 (0.62) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL3381039 0.82 MAOA (0.65) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL8602265 0.82 MAOA (0.69) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL9507880 0.81 MEN1 (0.66) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL11549167 0.81 MAOA (0.72) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL8707594 0.80 TERT (0.68) MEN1ALDH1A1MAPTKMT2APOLB
SCHEMBL9510413 0.80 TERT (0.73) MEN1ALDH1A1MAPTKMT2APOLB

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-2006070380-A1 PYRROLO [2, 1-C] [1, 4] BENZODIAZEPINE-ANTHRAQUINONE CONJUGATES USEFUL AS ANTITUMOUR AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-06 WO disclosed