SCHEMBL7748744

SCHEMBL7748744

N=C(N)NN=Cc1cc([N+](=O)[O-])ccc1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
MAPT P10636 9/20 0.61
ALDH1A1 P00352 3/20 0.61
GAA P10253 3/20 0.61
MEN1 O00255 9/20 0.61
KMT2A Q03164 9/20 0.61
HTT P42858 5/20 0.61
TDP1 Q9NUW8 3/20 0.61
PHGDH O43175 2/20 0.61
CCR6 P51684 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
NPC1 O15118 4/20 0.60
RAB9A P51151 3/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.60
LMNA P02545 2/20 0.59
ADORA2A P29274 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
XBP1 P17861 1/20 0.56

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
SCHEMBL1520466 1.00 KDM4E (0.64) KDM4EMAPTALDH1A1GAAMEN1
Water SCHEMBL6576230 0.99 KDM4E (0.62) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL9458239 0.89 KDM4E (0.67) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL31530751 0.88 KDM4E (0.69) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL13673500 0.85 HTT (0.56) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL13673668 0.85 KDM4E (0.62) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL13673665 0.85 KDM4E (0.62) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL13673670 0.85 KDM4E (0.66) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL13673499 0.85 HTT (0.56) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL15457450 0.85 MEN1 (0.77) KDM4EMAPTALDH1A1MEN1KMT2A

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
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