SCHEMBL8399362

SCHEMBL8399362

CCOc1c(-n2c(CC)nc(C)cc2=O)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
MAPT P10636 5/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
DHODH Q02127 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 4/20 0.37
GAA P10253 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8401465 0.80 ALDH1A1 (0.76) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL8399433 0.80 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL8399519 0.76 USP2 (0.37) ALDH1A1MAPTKMT2AMEN1RECQL
SCHEMBL8399558 0.72 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL11052582 0.72 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL8403524 0.71 APLNR (0.45) ALDH1A1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL16956854 0.69 SMN1; SMN2 (0.55) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL14601545 0.66 ALDH1A1 (0.63) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL16861184 0.65 GPR35 (0.51) ALDH1A1MAPTKMT2AMEN1MAPK1
SCHEMBL22366682 0.65 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5885997-A Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them and their use in the treatment of diabetes and related diseases DR. REDDY'S RESEARCH FOUNDATION (IN) 1999-03-23 US disclosed