SCHEMBL3638856

SCHEMBL3638856

O=C(O)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 2/20 0.67
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
L3MBTL1 Q9Y468 3/20 0.58
MYC P01106 1/20 0.57
LMNA P02545 3/20 0.56
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.55
POLB P06746 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL3639905 0.88 L3MBTL1 (0.65) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL546063 0.86 ALDH1A1 (0.78) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL32660033 0.83 GAA (0.72) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL22767195 0.83 GAA (1.00) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL20597980 0.83 GAA (0.72) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL11287512 0.83 GAA (0.72) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL30501408 0.83 GAA (0.72) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL3512031 0.82 GAA (0.64) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL7671473 0.82 SMN1; SMN2 (0.79) GAAKDM4EALDH1A1KMT2AMEN1
SCHEMBL6414184 0.81 ALDH1A1 (0.74) GAAKDM4EALDH1A1KMT2AMEN1

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
EP-2176231-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2010-04-21 EP disclosed
WO-2009013126-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-01-29 WO disclosed