SCHEMBL8830296

SCHEMBL8830296

CCc1ccc(C(C)=O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.46
LMNA P02545 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 4/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
RXRA P19793 1/20 0.41
GAA P10253 2/20 0.41
ALPG P10696 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPD P32754 1/20 0.41
CES2 O00748 1/20 0.41
GALR2 O43603 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
SCHEMBL13497998 0.87 MAPT (0.49) KAT2BLMNAKMT2AALDH1A1MEN1
SCHEMBL5913686 0.87 MAPT (0.50) ALDH1A1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8830192 0.87 RXRA (0.53) KAT2BLMNAKMT2AALDH1A1HPGD
SCHEMBL8830243 0.85 LMNA (0.51) KAT2BLMNAKMT2AALDH1A1MEN1
SCHEMBL8830299 0.85 HPGD (0.46) KAT2BLMNAKMT2AALDH1A1MEN1
SCHEMBL13634220 0.84 ALDH1A1 (0.48) KAT2BLMNAKMT2AALDH1A1MEN1
SCHEMBL14081878 0.83 HPGD (0.41) LMNAKMT2AALDH1A1MEN1HPGD
SCHEMBL27907999 0.80 CES2 (0.52) KAT2BLMNAKMT2AALDH1A1MEN1
SCHEMBL2327753 0.79 ALDH1A1 (0.52) ALDH1A1TDP1
SCHEMBL28822467 0.79 LMNA (0.53) LMNAKMT2AALDH1A1MEN1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684049-A HIV-inhibiting benzeneacetamide derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1997-11-04 US disclosed
EP-0538301-B1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 1996-10-30 EP disclosed
US-5556886-A VIRICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1996-09-17 US disclosed
EP-0538301-A1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES. JANSSEN PHARMACEUTICA NV (BE) 1993-04-28 EP disclosed
WO-1992000952-A1 HIV-INHIBITING BENZENEACETAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1992-01-23 WO disclosed