SCHEMBL7950879

SCHEMBL7950879

C=CCN1Cc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GFER P55789 2/20 0.42
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 3/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
S100A4 P26447 2/20 0.40
RECQL P46063 2/20 0.39
MCL1 Q07820 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HTT P42858 1/20 0.38
PTPRC P08575 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CASP3 P42574 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL1948769 0.82 S100A4 (0.42) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL14348206 0.78 DHPS (0.54) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL4209630 0.78 ACHE (0.43) ALDH1A1GFERKMT2AMAPTMEN1
SCHEMBL7952533 0.77 BRD4 (0.41) ALDH1A1KMT2AMAPTMEN1MAPK1
SCHEMBL9933768 0.76 IDH1 (0.45) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL31598720 0.74 S100A4 (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL30450709 0.74 KMT2A (0.47) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL28327686 0.74 S100A4 (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL5906644 0.74 S100A4 (0.46) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL3381771 0.74 DHPS (0.41) ALDH1A1KMT2AMAPTMEN1MAPK1

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-6277847-B1 PRE-EMERGENT AND POST-EMERGENT HERBICIDES SELECTIVE FOR PROTECTION OF CROPS SUCH AS WHEAT, CORN, SOYBEANS, COTTON FMC CORPORATION 2001-08-21 US disclosed