SCHEMBL9717002

SCHEMBL9717002

O=C(O)c1ccc(C(=O)c2ccccc2Cl)c(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.64
CDC25A P30304 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 1/20 0.57
NR4A1 P22736 1/20 0.53
POLB P06746 2/20 0.53
RORC P51449 2/20 0.50
PYGL P06737 1/20 0.49
SRD5A2 P31213 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.47
AKR1C3 P42330 3/20 0.47
TSHR P16473 2/20 0.47
ATM Q13315 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL9718447 0.93 KDM4E (0.67) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL8962328 0.88 CDC25B (0.77) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL9721182 0.88 ALDH1A1 (0.62) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL9721168 0.88 CDC25B (0.61) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL2058646 0.84 KDM4E (0.79) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL31304680 0.84 ALDH1A1 (0.75) CDC25BCDC25AHSD17B10ALDH1A1NR4A1
SCHEMBL5151518 0.84 ALDH1A1 (0.75) CDC25BCDC25AHSD17B10ALDH1A1NR4A1
Phthalic Acid SCHEMBL20678581 0.82 CDC25B (0.77) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL22939381 0.81 CDC25B (0.66) CDC25BCDC25AHSD17B10ALDH1A1KDM4E
SCHEMBL370129 0.80 KDM4E (0.85) CDC25BCDC25AHSD17B10ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0499450-A1 Synthesis of 1-aminoanthraquinone HOECHST CELANESE CORPORATION (US) 1992-08-19 EP disclosed
EP-0499451-A1 Synthesis of 1-amino-anthraquinone HOECHST CELANESE CORPORATION (US) 1992-08-19 EP disclosed
US-5132437-A From 2-Substituted Benzyl Compound and Xylene HOECHST CELANESE CORPORATION (US) 1992-07-21 US disclosed
US-5130448-A Condensing ortho substituted benzoic acid and xylene, oxidation, ring closure, ammonolysis and decarboxyalation HOECHST CELANESE CORPORATION (US) 1992-07-14 US disclosed