SCHEMBL9309652

SCHEMBL9309652

O=C(OC(=O)c1ccc2cccnc2c1C(=O)O)c1ccc2cccnc2c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
EGLN1 Q9GZT9 9/20 0.49
LMNA P02545 4/20 0.47
ALOX12 P18054 1/20 0.47
KDM4E B2RXH2 5/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MMP2 P08253 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MMP8 P22894 1/20 0.46
CCR1 P32246 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46

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
SCHEMBL29906219 0.87 ALDH1A1 (0.70) ALDH1A1EGLN1LMNAALOX12KDM4E
SCHEMBL69869 0.87 ALDH1A1 (0.70) ALDH1A1EGLN1LMNAALOX12KDM4E
SCHEMBL16040593 0.77 ALDH1A1 (0.60) ALDH1A1EGLN1LMNAALOX12KDM4E
SCHEMBL31057838 0.77 ALDH1A1 (0.60) ALDH1A1EGLN1LMNAALOX12KDM4E
SCHEMBL9197665 0.76 ALDH1A1 (0.54) ALDH1A1LMNAALOX12KDM4EGMNN
SCHEMBL4076198 0.76 ALDH1A1 (0.54) ALDH1A1EGLN1LMNAALOX12KDM4E
SCHEMBL27908512 0.76 ALDH1A1 (0.54) ALDH1A1EGLN1LMNAALOX12KDM4E
SCHEMBL11430231 0.76 LMNA (0.56) ALDH1A1LMNAALOX12KDM4EGMNN
SCHEMBL3756602 0.75 SLC40A1 (0.52) ALDH1A1LMNAKDM4EGMNNTP53
SCHEMBL1759043 0.73 ALDH1A1 (1.00) ALDH1A1EGLN1LMNAALOX12KDM4E

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-5283335-A Controlling (mono or di)cotyledenous plants AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed