SCHEMBL2483992

SCHEMBL2483992

O=C(O)c1nc(Br)ccc1OCCOc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.49
POLB P06746 1/20 0.47
CASP6 P55212 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
PARP10 Q53GL7 1/20 0.43
MAPT P10636 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL594987 0.86 MAPT (0.54) ALDH1A1PKMPOLBCASP6MEN1
SCHEMBL594717 0.82 MAPT (0.49) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL594740 0.77 EGFR (0.42) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2483197 0.76 L3MBTL1 (0.45) MEN1KMT2AMAPTL3MBTL1
SCHEMBL15270753 0.73 KDM4E (0.47) ALDH1A1POLBRAB9AMAPTL3MBTL1
SCHEMBL15484979 0.71 KMT2A (0.44) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL716542 0.70 MAPT (0.50) ALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL23271967 0.69 KCNA3 (0.63) ALDH1A1PKMMEN1KMT2ARAB9A
SCHEMBL30003049 0.69 KCNA3 (0.63) ALDH1A1PKMMEN1KMT2ARAB9A
SCHEMBL2452436 0.69 ALDH1A1 (1.00) ALDH1A1PKMPOLBCASP6MEN1

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
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed