SCHEMBL9756635

SCHEMBL9756635

O=C(O)c1ccc2c(ccc3ccc(C(=O)O)nc32)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.55
KDM4E B2RXH2 5/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX15 P16050 2/20 0.45
TSHR P16473 1/20 0.45
ACMSD Q8TDX5 1/20 0.45
MMP2 P08253 2/20 0.44
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1094226 0.83 LMNA (0.59) MGAMKDM4EKMT2ATDP1MAPT
SCHEMBL1088781 0.83 KDM4E (0.67) MGAMKDM4EKMT2ATDP1MAPT
Hydrochloric Acid SCHEMBL10553456 0.81 KDM4E (0.64) MGAMKDM4EKMT2ATDP1MAPT
SCHEMBL2175934 0.80 MGAM (0.64) MGAMKDM4EKMT2ATDP1MAPT
SCHEMBL8883056 0.79 KDM4E (0.46) MGAMKDM4EKMT2ATDP1MAPT
Methyl Alcohol SCHEMBL28609065 0.79 KDM4E (0.62) MGAMKDM4EKMT2ATDP1MAPT
SCHEMBL7036195 0.78 KDM4E (0.62) MGAMKDM4EKMT2ATDP1MAPT
SCHEMBL7566091 0.78 KDM4E (0.45) MGAMKDM4EKMT2ATDP1MAPT
SCHEMBL6391903 0.77 MGAM (0.67) MGAMKDM4EKMT2ATDP1MAPT
SCHEMBL14610933 0.77 KDM4E (0.60) MGAMKDM4EKMT2ATDP1MAPT

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-1991012004-A1 TOPICAL USE OF 6-N-BUTYL-1,4,7,10-TETRAHYDRO-4,10-DIOXO-1,7-PHENANTHROLINE-2,8-DICARBOXYLIC ACID DERIVATIVES ALLERGAN, INC. (US) 1991-08-22 WO disclosed