SCHEMBL10920123

SCHEMBL10920123

O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)Nc4ccccc4)CC3)c(F)cc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.72
ALDH1A1 P00352 4/20 0.72
LMNA P02545 3/20 0.72
HPGD P15428 3/20 0.72
HSD17B10 Q99714 3/20 0.72
MEN1 O00255 1/20 0.72
USP2 O75604 1/20 0.72
TSHR P16473 1/20 0.72
HTT P42858 1/20 0.72
KMT2A Q03164 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
TOP2B Q02880 2/20 0.66
CYP1A2 P05177 1/20 0.66
TOP2A P11388 1/20 0.66
CYP2C9 P11712 1/20 0.66
MAPT P10636 1/20 0.65
PIK3CG P48736 6/20 0.64
PIK3CD O00329 4/20 0.64
PIK3R1 P27986 4/20 0.64
PIK3CA P42336 4/20 0.64

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
SCHEMBL4717938 0.89 PIK3CG (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10920126 0.89 KDM4E (0.59) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10815692 0.87 KDM4E (0.80) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1445200 0.87 CA1 (0.81) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10811007 0.86 PIK3CG (0.78) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10810239 0.86 KDM4E (0.75) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL4717846 0.86 KDM4E (0.69) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10809240 0.84 KDM4E (1.00) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10807306 0.84 KDM4E (0.81) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL29350842 0.84 KDM4E (1.00) 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
EP-0121727-B1 BACTERICIDAL AGENT BASED ON QUINOLONECARBOXYLIC ACIDS BAYER AG (DE) 1986-09-24 EP disclosed
EP-0121727-A1 Bactericidal agent based on quinolonecarboxylic acids BAYER AG (DE) 1984-10-17 EP disclosed