SCHEMBL4697628

SCHEMBL4697628

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

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
KMT2A Q03164 6/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 3/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
MEN1 O00255 5/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 2/20 0.56
POLB P06746 2/20 0.56
SENP1 Q9P0U3 1/20 0.55
GAA P10253 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
SCHEMBL1520677 0.88 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL1520681 0.88 MAPT (0.59) MAPTNPC1RAB9ASMN1; SMN2KMT2A
Water SCHEMBL6576232 0.87 MAPT (0.58) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7750438 0.84 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL13611411 0.84 MAPT (0.70) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL7750442 0.84 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4698071 0.84 NPC1 (0.61) MAPTNPC1RAB9ASMN1; SMN2KMT2A
Acetic Acid SCHEMBL915945 0.81 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2KMT2A
Acetic Acid SCHEMBL915943 0.81 MAPT (0.61) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL19449726 0.81 MAPT (0.63) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP claimed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US claimed
EP-1309544-B1 COMPOUNDS ACTING AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2008-11-05 EP disclosed
US-7153881-B2 Compounds acting as melanocortin receptor ligands ACURE PHARMA AB (SE) 2006-12-26 US disclosed