SCHEMBL8465319

SCHEMBL8465319

C=C1COc2c(N3CCN(c4ccccc4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.54
TOP2B Q02880 10/20 0.54
KDM4E B2RXH2 4/20 0.52
TOP1 P11387 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
ALDH1A1 P00352 2/20 0.51
ALB P02768 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
AADAT Q8N5Z0 2/20 0.50
TUBB4A P04350 1/20 0.50
POLB P06746 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50

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
SCHEMBL10918381 0.89 KDM4E (0.67) TOP2ATOP2BKDM4ETOP1HPGD
SCHEMBL10917492 0.82 TOP2A (0.53) TOP2ATOP2BKDM4ETOP1HPGD
SCHEMBL10919879 0.81 TOP2A (0.66) TOP2ATOP2BTOP1ALDH1A1POLB
SCHEMBL10918713 0.81 TOP1 (0.53) TOP2ATOP2BKDM4ETOP1HPGD
SCHEMBL26193863 0.79 KDM4E (0.81) TOP2ATOP2BKDM4EHPGDHSD17B10
SCHEMBL4265220 0.77 TOP2A (0.49) TOP2ATOP2BKDM4ETOP1HPGD
SCHEMBL4265670 0.77 TOP2A (0.49) TOP2ATOP2BKDM4ETOP1HPGD
SCHEMBL10374439 0.75 HPGD (0.64) TOP2ATOP2BKDM4ETOP1HPGD
SCHEMBL9872260 0.75 KDM4E (0.62) TOP2ATOP2BKDM4ETOP1AADAT
SCHEMBL10919704 0.74 TOP2A (0.47) TOP2ATOP2BKDM4ETOP1HPGD

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
JP-11349589-A None JP disclosed
JP-H11349589-A CONDENSED RING QUINOLINECARBOXYLIC DERIVATIVE SANKYO CO LTD 1999-12-21 JP disclosed