SCHEMBL501331

SCHEMBL501331

O=C(c1ccccc1)c1cc(Br)c(O)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 1/20 0.53
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53
MAPT P10636 4/20 0.50
POLB P06746 1/20 0.50
AKR1C3 P42330 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
PGR P06401 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
MAPK1 P28482 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
SCHEMBL11012667 0.91 GAA (0.55) GAAMEN1USP2KMT2AKEAP1
SCHEMBL29043224 0.89 KMT2A (0.58) GAAMEN1USP2KMT2AKEAP1
SCHEMBL30544799 0.89 KMT2A (0.58) GAAMEN1USP2KMT2AKEAP1
SCHEMBL28315291 0.79 ALDH1A1 (0.50) GAAMEN1USP2KMT2AKEAP1
SCHEMBL1900411 0.78 MEN1 (0.46) GAAMEN1USP2KMT2AKEAP1
SCHEMBL11211849 0.78 MEN1 (0.68) GAAMEN1USP2KMT2AKEAP1
SCHEMBL11342058 0.78 BCL2 (0.58) GAAMEN1USP2KMT2AKEAP1
SCHEMBL8380031 0.78 KDM4E (0.58) GAAMEN1USP2KMT2AKEAP1
SCHEMBL31255510 0.77 KMT2A (0.53) GAAMEN1USP2KMT2AKEAP1
SCHEMBL28126760 0.77 HPGD (0.54) GAAMEN1USP2KMT2AKEAP1

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-8105513-B2 Pipette tip containing particle-filled polymer monolith BONN ALEXANDER (AT) 2012-01-31 US disclosed
US-20100009845-A1 Pipette Tip Containing Particle-Filled Polymer Monolith BONN ALEXANDER 2010-01-14 US disclosed