SCHEMBL4726403

SCHEMBL4726403

O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.76
SMN1; SMN2 Q16637 7/20 0.76
RAB9A P51151 5/20 0.76
POLB P06746 4/20 0.76
LMNA P02545 3/20 0.76
GFER P55789 1/20 0.76
ALDH1A1 P00352 9/20 0.72
KMT2A Q03164 5/20 0.72
MAPT P10636 4/20 0.72
CASP3 P42574 1/20 0.69
SENP8 Q96LD8 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
SENP6 Q9GZR1 1/20 0.69
MAPK1 P28482 3/20 0.62
HPGD P15428 4/20 0.59
NPC1 O15118 3/20 0.59
TP53 P04637 2/20 0.59
PTK2B Q14289 1/20 0.56
MEN1 O00255 3/20 0.55
BLM P54132 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
SCHEMBL4727282 0.91 KDM4E (0.77) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL4727616 0.84 KDM4E (0.82) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL6391407 0.83 CASP3 (1.00) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL4781504 0.81 KDM4E (0.77) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL1494832 0.81 KDM4E (0.83) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25878632 0.80 KDM4E (0.74) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL25312016 0.80 ALDH1A1 (0.81) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL29484580 0.80 ALDH1A1 (0.81) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL4729924 0.79 KDM4E (0.66) KDM4ESMN1; SMN2RAB9APOLBLMNA
SCHEMBL1494756 0.78 RAB9A (0.79) KDM4ESMN1; SMN2RAB9APOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed