SCHEMBL10657002

SCHEMBL10657002

Cc1cn(C2CC2)c2cc(N3CCN(C)C(=O)C3)c(F)cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPT P10636 1/20 0.51
CYP1A2 P05177 1/20 0.48
TOP2A P11388 1/20 0.48
CYP2C9 P11712 1/20 0.48
TOP2B Q02880 1/20 0.48
PIK3CG P48736 7/20 0.43
PIK3CD O00329 5/20 0.43
PIK3R1 P27986 5/20 0.43
PIK3CA P42336 5/20 0.43
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL13483563 0.86 ALDH1A1 (0.58) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10840019 0.85 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8572108 0.81 KDM4E (0.71) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10921539 0.79 KDM4E (0.56) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL16093580 0.77 KDM4E (0.45) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL680107 0.76 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10923253 0.76 KDM4E (0.60) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10961155 0.74 KDM4E (0.54) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL11101429 0.74 KDM4E (0.42) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10648121 0.73 KDM4E (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166939-B1 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7(3-OXO-1-PIPERAZINYL)-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND BACTERICIDAL AGENTS CONTAINING THEM BAYER AG (DE) 1988-06-22 EP disclosed