SCHEMBL8548403

SCHEMBL8548403

COc1cccc(-n2nc(C)c3ccc(N)cc32)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PLK1 P53350 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.39
FFAR4 Q5NUL3 1/20 0.38
MAPT P10636 2/20 0.37
PTGER1 P34995 1/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
RORC P51449 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL5736538 0.83 ELANE (0.43) CA12CA1CA2CA7CA9
SCHEMBL9023628 0.79 TSHR (0.59) CA12CA9PLK1ALDH1A1FFAR4
SCHEMBL9025523 0.73 RORC (0.56) CA12CA1CA2CA7CA9
SCHEMBL2546794 0.70 KHK (0.58) CA9CHEK1AURKACSNK1A1CDK8
SCHEMBL3699843 0.70 ELANE (0.41) MAPTPTGER1CHEK1AURKACSNK1A1
Hydrochloric Acid SCHEMBL2543458 0.69 KHK (0.57) CA9CHEK1AURKACSNK1A1CDK8
SCHEMBL27993086 0.68 LMNA (0.52) CA12CA1CA2CA7CA9
SCHEMBL29162242 0.66 PLK1 (0.47) PLK1GAAALDH1A1MAPTTSHR
SCHEMBL13733940 0.66 CA12 (0.61) CA12CA1CA2CA7CA9
2,6-Dimethoxybenzoic Acid SCHEMBL149926 0.65 CA12 (1.00) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487097-B1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO KK (JP) 1998-10-14 EP disclosed
EP-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 EP disclosed
US-5220026-A Antitumor agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-15 US disclosed
EP-0487097-A1 Pyrazoloacridone derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-05-27 EP disclosed
EP-0347749-A2 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO CO., LTD. (JP) 1989-12-27 EP disclosed