SCHEMBL16063545

SCHEMBL16063545

COC(=O)[C@@H](C)Oc1cc(F)c(-c2c(Cl)n3n(c2=O)CCCC3)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR174 Q9BXC1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPT P10636 1/20 0.32
PDK1 Q15118 1/20 0.32
PPOX P50336 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL16063540 1.00 GPR174 (0.33) GPR174KDM4EMEN1KMT2AL3MBTL1
SCHEMBL16063587 0.92 KMT2A (0.36) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL16063527 0.92 KMT2A (0.36) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL16063497 0.91 PPOX (0.41) GPR174KDM4EMEN1KMT2AALDH1A1
SCHEMBL16063453 0.91 GPR174 (0.33) GPR174KDM4EMEN1KMT2AL3MBTL1
SCHEMBL16068811 0.85 PPOX (0.42) KDM4EMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL16063466 0.84 ALDH1A1 (0.42) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL16063490 0.83 KDM4E (0.40) GPR174KDM4EMEN1KMT2AL3MBTL1
SCHEMBL16063512 0.82 KDM4E (0.41) GPR174KDM4EMEN1KMT2AL3MBTL1
SCHEMBL16068820 0.80 MAPT (0.33) GPR174MEN1KMT2AL3MBTL1ALDH1A1

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-2014142308-A1 BICYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 WO disclosed