SCHEMBL9738984

SCHEMBL9738984

CC1(C)C(=O)C=C(OC(=O)c2ccc(OS(C)(=O)=O)cc2[N+](=O)[O-])C(C)(C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.32
MEN1 O00255 4/20 0.32
VCAM1 P19320 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9739421 0.79 KMT2A (0.33) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL9738404 0.77 HPD (0.38) KMT2AALDH1A1MEN1VCAM1KDM4E
SCHEMBL9740555 0.73 AKR1C3 (0.45) ALDH1A1VCAM1KDM4EMAPTMAPK1
SCHEMBL9738636 0.72 FLT1 (0.39) KMT2AALDH1A1GAAMEN1VCAM1
SCHEMBL9739114 0.70 HPD (0.38) KMT2AALDH1A1GAAMEN1VCAM1
SCHEMBL997958 0.69 HPD (0.39) KMT2AALDH1A1GAAMEN1KDM4E
SCHEMBL9873308 0.68 MAPT (0.43) MAPT
SCHEMBL1860425 0.68 HPD (0.58) KMT2AMEN1
SCHEMBL30177033 0.68 HPD (0.58) KMT2AMEN1
SCHEMBL9739629 0.67 ALDH1A1 (0.35) KMT2AALDH1A1GAAMEN1KDM4E

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-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed