SCHEMBL7750442

SCHEMBL7750442

N=C(N)NN=Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
KMT2A Q03164 6/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 3/20 0.60
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
DUSP3 P51452 1/20 0.60
PTPN5 P54829 1/20 0.60
PTPN11 Q06124 1/20 0.60
MEN1 O00255 5/20 0.59
ALDH1A1 P00352 1/20 0.58
POLB P06746 3/20 0.58
SENP1 Q9P0U3 1/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL7750438 1.00 MAPT (0.60) MAPTKMT2ANPC1RAB9ALMNA
Acetic Acid SCHEMBL915945 0.94 MAPT (0.61) MAPTKMT2ANPC1RAB9ALMNA
Acetic Acid SCHEMBL915943 0.94 MAPT (0.61) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL19449726 0.89 MAPT (0.63) MAPTKMT2ANPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL17560997 0.87 MAPT (0.62) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL13611411 0.86 MAPT (0.70) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL1520681 0.85 MAPT (0.59) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL1520678 0.85 MAPT (0.62) MAPTKMT2ANPC1RAB9ALMNA
SCHEMBL1520677 0.85 MAPT (0.59) MAPTKMT2ANPC1RAB9ALMNA
Water SCHEMBL6576232 0.84 MAPT (0.58) MAPTKMT2ANPC1RAB9ALMNA

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 3 patents. 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
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 disclosed
US-4457859-A LIQUID CRYSTALS, ELECTROOPTICS IVASCHENKO ALEXANDR V (SU) 1984-07-03 US disclosed