SCHEMBL903779

SCHEMBL903779

BrC(Br)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAOB P27338 6/20 0.51
ALOX5 P09917 1/20 0.50
RRM1 P23921 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAOA P21397 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL903792 0.86 MAOB (0.62) KMT2AMEN1MAOBALOX5LMNA
SCHEMBL31185919 0.86 RRM1 (0.53) KMT2AMEN1MAOBALOX5RRM1
SCHEMBL4674930 0.84 MEN1 (0.70) KMT2AMEN1MAOBALOX5LMNA
SCHEMBL8762019 0.83 LMNA (0.60) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL10477886 0.82 KMT2A (0.51) KMT2AMEN1MAOBALOX5RRM1
SCHEMBL26563983 0.81 KMT2A (0.59) KMT2AMEN1MAOBALOX5RRM1
SCHEMBL13840614 0.80 KMT2A (0.53) KMT2AMEN1MAOBALOX5RRM1
SCHEMBL3923237 0.80 KMT2A (0.53) KMT2AMEN1MAOBALOX5RRM1
SCHEMBL18655367 0.80 RRM1 (0.51) KMT2AMEN1MAOBALOX5RRM1
SCHEMBL31185833 0.79 RRM1 (0.57) KMT2AMEN1MAOBALOX5RRM1

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-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed