SCHEMBL7017155

SCHEMBL7017155

COC(OC)C1=C(C(=O)O)C(c2ccccc2Cl)c2c[nH]nc2N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
GLA P06280 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PYGL P06737 10/20 0.35
PYGM P11217 10/20 0.35
ATM Q13315 1/20 0.33

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
SCHEMBL7436392 0.89 PYGL (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6293330 0.86 TSHR (0.45) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7017903 0.82 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6292332 0.80 ALDH1A1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7025273 0.80 TBXA2R (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7441431 0.78 PYGL (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL7027088 0.76 GSK3B (0.33)
SCHEMBL6293653 0.76 KDM4E (0.51) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6296672 0.75 TSHR (0.47) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL7381416 0.74 KDM4E (0.49) KDM4EALDH1A1GLAGAAHPGD

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-1355909-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-10-29 EP disclosed
WO-2002062795-A2 DIHYDROPYRAZOLOPYRIDINE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 WO disclosed