SCHEMBL1413926

SCHEMBL1413926

O=C(O)c1cc(-c2ccc(Br)cc2)[nH]n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 2/20 0.50
PTPN1 P18031 1/20 0.50
POLB P06746 1/20 0.50
HCAR2 Q8TDS4 7/20 0.49
MCL1 Q07820 3/20 0.49
DAO P14920 1/20 0.46
BRAF P15056 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYTH3 O43739 1/20 0.42
BTK Q06187 1/20 0.42
EPN1 Q9Y6I3 1/20 0.42

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
SCHEMBL70360 0.86 CA12 (0.53) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL29019950 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL69492 0.84 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL1413913 0.83 NPC1 (0.55) MEN1KMT2AMAPTPOLBHCAR2
SCHEMBL1413865 0.83 ALPL (0.53) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL19996893 0.83 MEN1 (0.50) MEN1KMT2AMAPTPOLBHCAR2
SCHEMBL1413993 0.83 HCAR2 (0.55) MEN1KMT2AUSP2ALDH1A1MAPT
SCHEMBL70800 0.83 RAB9A (0.55) MEN1KMT2AMAPTPOLBHCAR2
Hydrochloric Acid SCHEMBL1221862 0.82 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL12922085 0.82 HCAR2 (0.56) MEN1KMT2AUSP2ALDH1A1MAPT

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-2291372-A2 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF Burnham Institute for Medical Research (US) 2011-03-09 EP claimed
WO-2009143150-A2 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-11-26 WO claimed