SCHEMBL7943962

SCHEMBL7943962

CC(C)N1Cc2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.43
PTPRC P08575 1/20 0.43
IDH1 O75874 1/20 0.42
MAPT P10636 2/20 0.42
RECQL P46063 2/20 0.42
KMT2A Q03164 2/20 0.42
MCL1 Q07820 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 1/20 0.40
APEX1 P27695 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN2A Q99250 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL9935445 0.85 S100A4 (0.41) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9932906 0.83 S100A4 (0.40) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9933485 0.83 S100A4 (0.40) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL22291973 0.81 ALDH1A1 (0.39) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL31598720 0.80 S100A4 (0.46) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL5906644 0.80 S100A4 (0.46) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL869069 0.79 CYP1A2 (0.42) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL30450709 0.77 KMT2A (0.47) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL28327686 0.77 S100A4 (0.46) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL2168338 0.77 CYP1A2 (0.43) S100A4PTPRCMAPTKMT2ASMN1; SMN2

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