SCHEMBL8859262

SCHEMBL8859262

O=C(OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])C1(Nc2c([N+](=O)[O-])cccc2[N+](=O)[O-])CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
ALDH1A1 P00352 6/20 0.34
RAB9A P51151 1/20 0.34
CTSK P43235 1/20 0.34
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 4/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL910070 0.80 GPR35 (0.39) KMT2ALMNACTDSP1ALDH1A1KDM4E
SCHEMBL8859235 0.77 MEN1 (0.42) KMT2ALMNACTDSP1ALDH1A1KDM4E
SCHEMBL1058181 0.69 GPR174 (0.47) KMT2ALMNAALDH1A1RAB9AKDM4E
SCHEMBL2202794 0.69 GPR35 (0.39) KMT2ALMNAALDH1A1KDM4EMEN1
SCHEMBL910068 0.69 EPHX1 (0.57) KMT2AALDH1A1RAB9AKDM4EMEN1
SCHEMBL9687175 0.69 ALDH1A1 (0.46) KMT2AALDH1A1MEN1HTTL3MBTL1
SCHEMBL14962143 0.68 ALDH1A1 (0.42) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL15969165 0.68 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTMAPK1
SCHEMBL16924653 0.68 ALDH1A1 (0.42) KMT2ALMNAALDH1A1RAB9AMEN1
SCHEMBL8079942 0.68 KMT2A (0.45) KMT2ALMNAALDH1A1KDM4EMEN1

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-5691100-A SEMICONDUCTORS HOECHST JAPAN LIMITED (JP) 1997-11-25 US disclosed