SCHEMBL9757420

SCHEMBL9757420

O=C(O)c1cn(C2CC2)c2c(F)c(N3Cc4ccc(Br)cc4C3)c(F)cc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.56
TOP2B Q02880 6/20 0.56
KCNH2 Q12809 5/20 0.51
ALDH1A1 P00352 4/20 0.51
POLB P06746 2/20 0.51
OPRM1 P35372 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRD1 P41143 1/20 0.51
KDM4E B2RXH2 4/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PIK3CD O00329 1/20 0.48
PIK3R1 P27986 1/20 0.48
PIK3CA P42336 1/20 0.48

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
SCHEMBL9757274 0.90 TOP2A (0.57) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL8094873 0.89 TOP2A (0.60) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9757511 0.89 TOP2A (0.56) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9757498 0.89 TOP2A (0.56) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9757121 0.87 KCNH2 (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9757089 0.87 TOP2A (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9757408 0.86 KCNH2 (0.55) TOP2ATOP2BKCNH2ALDH1A1POLB
Hydrochloric Acid SCHEMBL9757234 0.85 KCNH2 (0.54) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9757309 0.85 TOP2A (0.52) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9757256 0.84 TOP2A (0.53) TOP2ATOP2BKCNH2ALDH1A1POLB

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-5026856-A Bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1991-06-25 US disclosed
EP-0343560-A2 Isoindoline derivative WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed