SCHEMBL7748675

SCHEMBL7748675

N=C(N)NN=Cc1cc(Cl)cc([N+](=O)[O-])c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.49
KDM4E B2RXH2 9/20 0.49
LMNA P02545 6/20 0.49
ALDH1A1 P00352 6/20 0.49
POLB P06746 5/20 0.49
MEN1 O00255 11/20 0.45
KMT2A Q03164 11/20 0.45
HTT P42858 7/20 0.43
TDP1 Q9NUW8 5/20 0.43
BLM P54132 2/20 0.43
MAPK1 P28482 2/20 0.43
APAF1 O14727 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
PSMD14 O00487 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7748672 1.00 MAPT (0.49) MAPTKDM4ELMNAALDH1A1POLB
Acetic Acid SCHEMBL915590 0.94 MAPT (0.47) MAPTKDM4ELMNAALDH1A1POLB
Acetic Acid SCHEMBL915591 0.94 MAPT (0.47) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL915592 0.83 MAPT (0.46) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL7748807 0.82 MEN1 (0.55) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL7748805 0.82 MEN1 (0.55) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL13673683 0.80 HTT (0.47) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL13673686 0.80 HTT (0.47) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL916658 0.76 ALDH1A1 (0.40) MAPTKDM4ELMNAALDH1A1POLB
SCHEMBL916659 0.76 ALDH1A1 (0.40) MAPTKDM4ELMNAALDH1A1POLB

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
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed