SCHEMBL6004248

SCHEMBL6004248

COc1ccc2nc(C(N)=O)cc(Cl)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.54
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PLA2G10 O15496 2/20 0.51
CDK9 P50750 1/20 0.48
DYRK1A Q13627 1/20 0.48
MAPT P10636 1/20 0.47
PDE4B Q07343 1/20 0.47
DHODH Q02127 1/20 0.46
LMNA P02545 1/20 0.46
PRNP P04156 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
PPARG P37231 1/20 0.45
HTT P42858 1/20 0.45
MAPK10 P53779 1/20 0.45
NCOA2 Q15596 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
SCHEMBL27685906 0.88 KDM4E (0.55) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL27773370 0.87 KDM4E (0.50) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL5717584 0.84 GRM2 (0.55) GRM2KDM4EALDH1A1POLBHPGD
SCHEMBL281896 0.83 MTNR1A (0.49) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL16832417 0.83 KDM4E (0.72) GRM2KDM4EALDH1A1POLBHPGD
SCHEMBL2652933 0.81 CTSL (0.61) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9724191 0.81 LMNA (0.58) GRM2LMNA
SCHEMBL16832328 0.81 PLA2G2A (0.64) GRM2KDM4EALDH1A1POLBHPGD
SCHEMBL19610556 0.79 PDE4B (0.52) GRM2KDM4EALDH1A1POLBHPGD
SCHEMBL5258916 0.79 GRM2 (0.50) GRM2KDM4EALDH1A1POLBHPGD

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
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed