SCHEMBL9458239

SCHEMBL9458239

N=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)C(=N)N/N=C\c1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.67
MEN1 O00255 10/20 0.64
KMT2A Q03164 10/20 0.64
MAPT P10636 9/20 0.64
HTT P42858 5/20 0.64
TDP1 Q9NUW8 4/20 0.64
PHGDH O43175 2/20 0.64
ALDH1A1 P00352 2/20 0.64
CCR6 P51684 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
NPC1 O15118 4/20 0.62
RAB9A P51151 3/20 0.62
POLB P06746 2/20 0.62
MAPK1 P28482 1/20 0.62
LMNA P02545 3/20 0.61
ADORA2A P29274 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 2/20 0.59
XBP1 P17861 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL7748744 0.89 KDM4E (0.64) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL1520466 0.89 KDM4E (0.64) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL13673665 0.88 KDM4E (0.62) KDM4EMEN1KMT2AMAPTHTT
Water SCHEMBL6576230 0.88 KDM4E (0.62) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL13673668 0.88 KDM4E (0.62) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL15457450 0.87 MEN1 (0.77) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL15457451 0.86 KDM4E (0.69) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL31530751 0.84 KDM4E (0.69) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21292771 0.82 PHGDH (0.82) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL21292769 0.82 PHGDH (0.82) KDM4EMEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5204311-A Yellow colored coordination compounds of transition metals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-04-20 US disclosed
EP-0531020-A1 Ethanediimidic acid bis arylalkylidene)hydrazide MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-03-10 EP disclosed