SCHEMBL11155232

SCHEMBL11155232

O=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(Cl)c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.49
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
HSPB1 P04792 3/20 0.48
ATM Q13315 1/20 0.47
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
TTR P02766 1/20 0.43
ALB P02768 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
LMNA P02545 1/20 0.42
TLR9 Q9NR96 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40

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
SCHEMBL275261 0.81 PDE7A (0.51) PDE7AALDH1A1MAPTHSPB1ATM
SCHEMBL11155758 0.80 ATM (0.53) PDE7AALDH1A1MAPTHSPB1ATM
SCHEMBL11159594 0.79 PDE7A (0.51) PDE7AALDH1A1MAPTHSPB1ATM
SCHEMBL8964117 0.77 ALDH1A1 (0.71) ALDH1A1MAPTHSPB1MEN1KMT2A
SCHEMBL11152402 0.76 KMT2A (0.47) PDE7AALDH1A1MAPTATMMEN1
SCHEMBL11152400 0.76 KMT2A (0.47) PDE7AALDH1A1MAPTATMMEN1
SCHEMBL31447962 0.74 HSPB1 (0.53) PDE7AALDH1A1MAPTHSPB1ATM
SCHEMBL6918825 0.74 HSPB1 (0.53) PDE7AALDH1A1MAPTHSPB1ATM
SCHEMBL11577394 0.72 HSPB1 (0.68) PDE7AALDH1A1MAPTHSPB1MEN1
SCHEMBL14451771 0.72 TLR9 (0.61) ALDH1A1MAPTHSPB1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4389416-A DIURETICS ABBOTT LABORATORIES (US) 1983-06-21 US disclosed