SCHEMBL4729924

SCHEMBL4729924

O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
MAPK1 P28482 2/20 0.66
SMN1; SMN2 Q16637 7/20 0.64
RAB9A P51151 4/20 0.64
LMNA P02545 4/20 0.64
POLB P06746 3/20 0.64
GFER P55789 1/20 0.64
ALDH1A1 P00352 9/20 0.58
MAPT P10636 4/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 2/20 0.57
PTK2B Q14289 1/20 0.57
HPGD P15428 5/20 0.56
TP53 P04637 3/20 0.56
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MEN1 O00255 1/20 0.51
PPARG P37231 1/20 0.49

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 0.80 KDM4E (0.77) KDM4EMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL4726403 0.79 KDM4E (0.76) KDM4EMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL25312016 0.77 ALDH1A1 (0.81) KDM4EMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL29484580 0.77 ALDH1A1 (0.81) KDM4EMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL10841799 0.76 MEN1 (0.64) SMN1; SMN2POLBALDH1A1MAPTKMT2A
SCHEMBL28933829 0.75 ALDH1A1 (0.78) KDM4EMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL13381558 0.74 CYP1A2 (0.63) KDM4EMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL1494832 0.74 KDM4E (0.83) KDM4EMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL980334 0.73 SMN1; SMN2 (0.68) KDM4EMAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL982575 0.73 SMN1; SMN2 (1.00) KDM4EMAPK1SMN1; SMN2RAB9ALMNA

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