SCHEMBL9023628

SCHEMBL9023628

Cc1nn(-c2ccccc2C(=O)O)c2cc(N)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
PLK1 P53350 1/20 0.47
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
HTT P42858 2/20 0.44
MAPT P10636 1/20 0.44
MYC P01106 3/20 0.43
CHEK1 O14757 1/20 0.43
AURKA O14965 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL9023741 0.84 TSHR (0.72) TSHRPLK1CA9CA12HTT
SCHEMBL9024013 0.81 TSHR (0.54) TSHRPLK1CA9CA12HTT
SCHEMBL8548403 0.79 CA12 (0.43) TSHRPLK1CA9CA12HTT
SCHEMBL2546794 0.78 KHK (0.58) CA9CHEK1AURKACSNK1A1CDK8
SCHEMBL1501466 0.77 TSHR (0.59) TSHRPLK1CA9CA12HTT
Hydrochloric Acid SCHEMBL2543458 0.76 KHK (0.57) CA9CHEK1AURKACSNK1A1CDK8
SCHEMBL24733697 0.75 CYP1A2 (0.57) TSHRCA9CA12HTTMAPT
SCHEMBL3699843 0.75 ELANE (0.41) MAPTCHEK1AURKACSNK1A1CDK8
SCHEMBL1501649 0.74 TSHR (0.59) TSHRPLK1CA9CA12HTT
SCHEMBL9024249 0.68 ALDH1A1 (0.57) TSHRCA9CA12HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 EP disclosed
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 US disclosed