SCHEMBL3408328

SCHEMBL3408328

O=C(c1ccccc1)c1ccccc1-n1cc(O)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
ALDH1A1 P00352 2/20 0.48
HSP90AA1 P07900 1/20 0.48
PKM P14618 1/20 0.48
CCR6 P51684 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RORC P51449 3/20 0.47
KMT2A Q03164 2/20 0.47
AKR1C3 P42330 1/20 0.46
SRC P12931 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 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
SCHEMBL143240 0.84 MAPT (0.50) POLBCA12CA9CA1CA2
SCHEMBL3402632 0.84 HTT (0.45) POLBALDH1A1HSP90AA1PKMCCR6
SCHEMBL3405019 0.82 POLB (0.42) POLBCA12CA9ALDH1A1TDP1
SCHEMBL150147 0.80 MAPK1 (0.49) POLBCA12CA9CA1CA2
SCHEMBL3409491 0.80 ALDH1A1 (0.43) POLBALDH1A1HSP90AA1PKMCCR6
SCHEMBL3405495 0.78 NR4A2 (0.56) ALDH1A1HSP90AA1KMT2AGAAMEN1
SCHEMBL17850892 0.76 ALDH1A1 (0.72) POLBALDH1A1HSP90AA1PKMCCR6
SCHEMBL152924 0.76 RORC (0.46) POLBALDH1A1HSP90AA1PKMCCR6
SCHEMBL3406738 0.76 KCNMA1 (0.46) POLBALDH1A1HSP90AA1ATMNPSR1
SCHEMBL152899 0.76 HSP90AA1 (0.50) POLBALDH1A1HSP90AA1PKMCCR6

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