SCHEMBL8306989

SCHEMBL8306989

CCNC(=O)CCN(C(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1ccccc1CC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 4/20 0.40
HCAR3 P49019 4/20 0.40
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
VDR P11473 1/20 0.40
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CASP6 P55212 1/20 0.39
PDK1 Q15118 1/20 0.37

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
SCHEMBL8302742 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8306053 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8300946 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8301531 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8307242 0.80 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8304839 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8304450 0.79 CASP6 (0.47) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8303213 0.79 LMNA (0.46) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8439711 0.75 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL8302750 0.70 CASP6 (0.48) ALDH1A1SMN1; SMN2MAPK1MEN1KMT2A

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-0934068-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1999-08-11 EP claimed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO claimed