SCHEMBL9711607

SCHEMBL9711607

CC1(C)CC(OC(=O)c2ccccc2[N+](=O)[O-])=CC(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 3/20 0.40
GLA P06280 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 3/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSD P07339 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL9431223 0.81 KMT2A (0.46) KMT2ALMNAHTTRAB9AALDH1A1
SCHEMBL10710367 0.74 KMT2A (0.47) KMT2AHTTRAB9AALDH1A1GLA
SCHEMBL9711535 0.72 KMT2A (0.43) KMT2ALMNAHTTRAB9AALDH1A1
SCHEMBL9711483 0.70 ALDH1A1 (0.40) LMNAHTTALDH1A1KDM4ECTSD
SCHEMBL9431225 0.69 RAB9A (0.40) KMT2ALMNAHTTRAB9AALDH1A1
SCHEMBL17673999 0.69 KMT2A (0.71) KMT2ALMNAHTTRAB9AALDH1A1
SCHEMBL31588107 0.69 KMT2A (0.71) KMT2ALMNAHTTRAB9AALDH1A1
SCHEMBL195311 0.68 ALDH1A1 (0.62) KMT2ALMNAHTTRAB9AALDH1A1
SCHEMBL9126196 0.68 KMT2A (0.55) KMT2ALMNAHTTRAB9AALDH1A1
SCHEMBL28491071 0.68 KMT2A (0.62) KMT2AALDH1A1GLAKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed