SCHEMBL9704964

SCHEMBL9704964

CN1OC(C)(C)C(OC(=O)c2ccc(OC(F)(F)F)cc2[N+](=O)[O-])=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.35
MEN1 O00255 5/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
MITF O75030 1/20 0.33
HPGD P15428 1/20 0.33
MPI P34949 1/20 0.32
PHOSPHO1 Q8TCT1 1/20 0.32
HSPA9 P38646 1/20 0.32
APLNR P35414 1/20 0.32
CHRM5 P08912 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL997179 0.80 HPD (0.40) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL7688039 0.73 MEN1 (0.45) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL7683231 0.71 EIF4E (0.47) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL9705483 0.71 KCNH2 (0.33) MAPTALDH1A1SMN1; SMN2MPIPHOSPHO1
SCHEMBL9739421 0.70 KMT2A (0.33) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL22749364 0.70 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL9704851 0.70 MEN1 (0.43) KMT2AMEN1MAPTALDH1A1NPSR1
SCHEMBL9441394 0.69 HPD (0.36) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL9873308 0.67 MAPT (0.43) MAPTSMN1; SMN2LMNAHPGD
SCHEMBL9738984 0.64 KMT2A (0.33) KMT2AMEN1MAPTALDH1A1NR1H4

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
WO-1992007837-A1 HETEROCYCLIC DIONE DERIVATIVES AS PESTICIDES AND PLANT GROWTH REGULATORS SANDOZ LTD. (CH) 1992-05-14 WO disclosed