SCHEMBL8303213

SCHEMBL8303213

CCc1ccccc1N(CCC(=O)N1CCOCC1)C(=O)c1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
ALDH1A1 P00352 6/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
FKBP1A P62942 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8304839 0.91 ALDH1A1 (0.46) LMNAALDH1A1GAANPC1SMN1; SMN2
SCHEMBL8302742 0.82 ALDH1A1 (0.50) ALDH1A1GAANPC1SMN1; SMN2RAB9A
SCHEMBL8306053 0.80 ALDH1A1 (0.48) ALDH1A1GAANPC1SMN1; SMN2RAB9A
SCHEMBL8300946 0.79 ALDH1A1 (0.47) ALDH1A1GAANPC1SMN1; SMN2RAB9A
SCHEMBL8301531 0.79 ALDH1A1 (0.46) LMNAALDH1A1GAANPC1SMN1; SMN2
SCHEMBL8306989 0.79 ALDH1A1 (0.44) ALDH1A1GAANPC1SMN1; SMN2RAB9A
SCHEMBL8307242 0.76 SMN1; SMN2 (0.46) ALDH1A1GAANPC1SMN1; SMN2RAB9A
SCHEMBL8304450 0.74 CASP6 (0.47) LMNAALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL8439711 0.72 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL546063 0.70 ALDH1A1 (0.78) LMNAALDH1A1GAAKDM4ENPC1

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