SCHEMBL9728544

SCHEMBL9728544

CCOC(=O)c1cn(C2CC2)c2cc(OC3CCN(C(=O)OC(C)(C)C)C3)c(F)cc2c1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
TOP2B Q02880 2/20 0.40
CYP1A2 P05177 1/20 0.40
TOP2A P11388 1/20 0.40
CYP2C9 P11712 1/20 0.40
BTK Q06187 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CG P48736 2/20 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
SCHEMBL9728418 0.85 ADRB2 (0.53) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29576844 0.78 KMT2A (0.60) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4306583 0.78 KMT2A (0.60) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9728447 0.77 KDM4E (0.43) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL22497602 0.77 KDM4E (0.44) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9728493 0.77 CACNA1F (0.41) ADRB2ALDH1A1LMNAKMT2ATOP2B
SCHEMBL13080499 0.76 BTK (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL13080527 0.76 BTK (0.43) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4296349 0.75 ADRB2 (0.47) ADRB2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10577000 0.75 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5153203-A QUINOLONE DERIVATIVES AND SALTS THEREOF, PREPARATION PROCESSES THEREOF, AND ANTIBACTERIAL AGENTS CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-10-06 US disclosed
EP-0390215-A2 Quinolone derivatives and salts thereof, preparation process es thereof, and antibacterial agents containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1990-10-03 EP disclosed