SCHEMBL9720525

SCHEMBL9720525

CCOC(=O)c1cn(C2CC2)c2cc(-c3cc(C(F)(F)F)nc(C(F)(F)F)c3)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.43
TOP2A P11388 4/20 0.41
TOP2B Q02880 4/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38

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
SCHEMBL7862768 0.89 TOP2A (0.52) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9309351 0.86 TOP2A (0.53) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL9720466 0.84 TOP2A (0.45) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9720459 0.83 TOP2A (0.45) ADRB2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9720598 0.83 TOP2A (0.45) ADRB2KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9720534 0.83 TOP2A (0.44) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4306583 0.82 KMT2A (0.60) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29576844 0.82 KMT2A (0.60) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9720497 0.82 TOP2A (0.43) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10577000 0.80 KMT2A (0.54) ADRB2KDM4EALDH1A1HPGDHSD17B10

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-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed
EP-0417669-A2 Pyridinyl-quinolone compounds, their preparation and use STERLING WINTHROP INC. (US) 1991-03-20 EP disclosed