SCHEMBL3406875

SCHEMBL3406875

O=C(c1ccccc1)c1ccccc1-n1cc(O)c2c(Cl)c(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
ATM Q13315 3/20 0.41
PKM P14618 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HSP90AA1 P07900 2/20 0.40
TLR9 Q9NR96 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CCR6 P51684 1/20 0.40
AKR1C3 P42330 2/20 0.38
NR4A1 P22736 1/20 0.37
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL3405230 0.82 MYC (0.42) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL3409491 0.81 ALDH1A1 (0.43) ALDH1A1ATMPKMLMNAMEN1
SCHEMBL3408784 0.78 LMNA (0.41) ALDH1A1PKMLMNAMEN1KMT2A
SCHEMBL3408328 0.74 POLB (0.50) ALDH1A1ATMPKMMEN1KMT2A
SCHEMBL27856153 0.74 SLC5A2 (0.40) ATMHSD17B10
SCHEMBL3402632 0.73 HTT (0.45) ALDH1A1ATMPKMLMNAMEN1
SCHEMBL29093033 0.68 AKR1C3 (0.52) ALDH1A1ATMMEN1KMT2AL3MBTL1
SCHEMBL3282414 0.67 NOTUM (0.41) ALDH1A1ATMMEN1KMT2AHPGD
SCHEMBL3345821 0.66 PTGDR2 (0.39) ALDH1A1KMT2AMAPTPOLB
SCHEMBL152924 0.66 RORC (0.46) ALDH1A1ATMPKML3MBTL1NPSR1

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-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed