SCHEMBL7614255

SCHEMBL7614255

N=C(Nc1ccc([N+](=O)[O-])cc1)N(c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
ALDH1A1 P00352 6/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
TGM2 P21980 1/20 0.49
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
NAMPT P43490 1/20 0.47
MITF O75030 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MYOC Q99972 1/20 0.47
PTGES O14684 1/20 0.47
LMNA P02545 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 2/20 0.46

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
SCHEMBL16470335 0.78 KMT2A (0.68) KMT2AMEN1ALDH1A1GAASMN1; SMN2
Iodide SCHEMBL8618697 0.78 KMT2A (0.58) KMT2AMEN1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL15527542 0.77 KMT2A (0.66) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL27699195 0.76 KMT2A (0.59) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL10741149 0.75 KMT2A (0.63) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL1740370 0.75 KMT2A (0.63) KMT2AMEN1ALDH1A1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL7258086 0.74 KMT2A (0.61) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL1740901 0.73 KMT2A (0.56) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL6631700 0.73 KMT2A (0.71) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL4588400 0.73 KMT2A (0.71) KMT2AMEN1ALDH1A1GAASMN1; SMN2

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
EP-0517852-B1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 2002-07-10 EP claimed
US-6437090-B1 ORGANOMETALLIC COMPOUND CAPABLE OF REVERSIBLY DISSOLVING AND PRECIPITATING THROUGH HEATING AND COOLING; ORGANOSILICON COMPOUND; ONE LIGAND CONTAINS AN ALKYL GROUP HAVING 10 OR MORE CARBON ATOMS; EPOXY RESIN; STORAGE STABLE; ONLY CURES ON HEAT KABUSHIKI KAISHA TOSHIBA (JP) 2002-08-20 US disclosed
EP-0517852-B1 TRI- AND TETRA-SUBSTITUTED GUANIDINES AND THEIR USE AS EXCITATORY AMINO ACID ANTAGONISTS OREGON STATE (US) 2002-07-10 EP disclosed