SCHEMBL7748807

SCHEMBL7748807

N=C(N)NN=Cc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PSMD14 O00487 1/20 0.55
HPGD P15428 1/20 0.55
BLM P54132 1/20 0.55
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
GUSB P08236 1/20 0.47
HTT P42858 4/20 0.47
MAPT P10636 8/20 0.46
KDM4E B2RXH2 5/20 0.46
LMNA P02545 4/20 0.46
POLB P06746 2/20 0.46
BACE1 P56817 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
NPC1 O15118 2/20 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
SCHEMBL7748805 1.00 MEN1 (0.55) MEN1KMT2ASMN1; SMN2PSMD14HPGD
SCHEMBL7748691 0.87 MEN1 (0.48) MEN1KMT2ASMN1; SMN2PSMD14HPGD
SCHEMBL7748687 0.87 MEN1 (0.48) MEN1KMT2ASMN1; SMN2PSMD14HPGD
SCHEMBL1157540 0.86 MEN1 (0.54) MEN1KMT2ASMN1; SMN2PSMD14HPGD
SCHEMBL1157544 0.86 MEN1 (0.54) MEN1KMT2ASMN1; SMN2PSMD14HPGD
SCHEMBL1157542 0.86 MEN1 (0.54) MEN1KMT2ASMN1; SMN2PSMD14HPGD
SCHEMBL7750354 0.85 MAPT (0.56) MEN1KMT2ASMN1; SMN2PSMD14HPGD
SCHEMBL7750350 0.85 MAPT (0.56) MEN1KMT2ASMN1; SMN2PSMD14HPGD
Water SCHEMBL6574634 0.84 MAPT (0.55) MEN1KMT2ASMN1; SMN2PSMD14HPGD
SCHEMBL17044522 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2PSMD14HPGD

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