SCHEMBL8307952

SCHEMBL8307952

CCc1cccc(CC)c1NC(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 4/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 2/20 0.49
CASP6 P55212 1/20 0.49
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8305753 0.85 SMN1; SMN2 (0.74) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8521515 0.83 MEN1 (0.60) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6814247 0.76 MEN1 (0.70) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8303947 0.76 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL10599217 0.75 MEN1 (0.64) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8302750 0.75 CASP6 (0.48) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL8760125 0.75 CASP6 (0.62) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL22734863 0.75 CASP6 (0.62) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL11654108 0.74 CASP6 (0.67) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL606248 0.74 ALDH1A1 (0.80) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1

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 disclosed
WO-1998009630-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 1998-03-12 WO disclosed