SCHEMBL9159652

SCHEMBL9159652

CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)C[N+](=O)[O-])cn3C2CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
ALDH1A1 P00352 4/20 0.58
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MAPT P10636 1/20 0.55
PIK3CG P48736 7/20 0.54
PIK3CD O00329 5/20 0.54
PIK3R1 P27986 5/20 0.54
PIK3CA P42336 5/20 0.54
CYP1A2 P05177 1/20 0.51
TOP2A P11388 1/20 0.51
CYP2C9 P11712 1/20 0.51
TOP2B Q02880 1/20 0.51
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
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
SCHEMBL5006578 0.86 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30306078 0.86 KDM4E (0.77) KDM4EALDH1A1LMNAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9151966 0.83 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9151237 0.81 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10812406 0.81 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
Trifluoroacetic Acid SCHEMBL9155568 0.81 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL16546845 0.80 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL16546848 0.80 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL22381272 0.79 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4629778 0.77 KDM4E (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409933-A Antibiotics KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1995-04-25 US disclosed
WO-1993025545-A1 NOVEL QUINOLINE DERIVATIVES AND PROCESSES FOR PREPARING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-23 WO disclosed
EP-0574231-A1 Quinolone and naphthyridine derivatives having at the 3-position a group other than a carboxy group, as antibacterials KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-12-15 EP disclosed