SCHEMBL8169495

SCHEMBL8169495

N[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)[C@@H]2CCO[C@H]12

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
TOP2A P11388 1/20 0.56
CYP2C9 P11712 1/20 0.56
TOP2B Q02880 1/20 0.56
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PIK3CG P48736 7/20 0.49
PIK3CD O00329 5/20 0.49
PIK3R1 P27986 5/20 0.49
PIK3CA P42336 5/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 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
SCHEMBL8169491 1.00 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9142804 0.84 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9144072 0.84 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9142846 0.84 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9142820 0.84 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9142836 0.84 ALDH1A1 (0.62) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9741964 0.82 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL7844377 0.82 KCNH2 (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9144233 0.81 KDM4E (0.63) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9144219 0.81 KDM4E (0.63) KDM4EALDH1A1LMNAHPGDHSD17B10

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
US-6017911-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0911336-A1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed