SCHEMBL10710367

SCHEMBL10710367

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 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
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9711607 0.74 KMT2A (0.44) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL28491071 0.71 KMT2A (0.62) KMT2AALDH1A1KDM4EGLAGAA
SCHEMBL17673999 0.69 KMT2A (0.71) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL31588107 0.69 KMT2A (0.71) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL9431223 0.68 KMT2A (0.46) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL195311 0.68 ALDH1A1 (0.62) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL6551442 0.68 ALDH1A1 (0.61) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL2289848 0.68 ALDH1A1 (0.61) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL17673952 0.68 KMT2A (0.54) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL8198293 0.67 KMT2A (0.60) KMT2ARAB9ANPC1ALDH1A1KDM4E

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
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed