SCHEMBL9208068

SCHEMBL9208068

CCOC(=O)c1cn(C2CC2)c2c(F)c(N3CCCOC3)c(F)cc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.55
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
KCNH2 Q12809 5/20 0.46
POLB P06746 2/20 0.44
OPRM1 P35372 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44
TOP2A P11388 3/20 0.44
TOP2B Q02880 3/20 0.44
STAT3 P40763 1/20 0.44
CYP2C19 P33261 1/20 0.44
PRKD3 O94806 1/20 0.43
ALOX15 P16050 1/20 0.43
CLK2 P49760 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL9208720 0.95 ADRB2 (0.57) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL9218059 0.87 TOP2A (0.55) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7131518 0.84 ADRB2 (0.59) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL9525112 0.84 ADRB2 (0.53) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL6776958 0.84 ADRB2 (0.59) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL7131512 0.84 ADRB2 (0.59) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL9668175 0.83 ADRB2 (0.60) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL10473672 0.83 KCNH2 (0.56) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL29492858 0.83 ADRB2 (0.68) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL2844967 0.83 ADRB2 (0.68) ADRB2KMT2AALDH1A1KDM4EHPGD

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
EP-0390215-B1 Quinolone derivatives and salts thereof, preparation process es thereof, and antibacterial agents containing the same WAKUNAGA SEIYAKU KK (JP) 1995-06-07 EP disclosed
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