SCHEMBL9732003

SCHEMBL9732003

CN(C)C1CCC(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2N)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.49
TOP2B Q02880 7/20 0.49
KCNH2 Q12809 5/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
OPRM1 P35372 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
OPRD1 P41143 1/20 0.47
KDM4E B2RXH2 2/20 0.46
PRKD3 O94806 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
CLK2 P49760 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSK3B P49841 2/20 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
SCHEMBL9731431 0.95 TOP2A (0.48) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9732961 0.86 ALDH1A1 (0.55) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9730945 0.84 PIM1 (0.52) TOP2ATOP2BALDH1A1POLBKDM4E
SCHEMBL9731714 0.82 ALDH1A1 (0.53) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9733155 0.82 KCNH2 (0.49) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9731616 0.82 TOP2A (0.53) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9731260 0.81 TOP2A (0.55) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9733273 0.80 KDM4E (0.53) TOP2ATOP2BALDH1A1KDM4EHPGD
SCHEMBL9733307 0.80 ALDH1A1 (0.53) TOP2ATOP2BKCNH2ALDH1A1POLB
SCHEMBL9733323 0.80 PIM1 (0.51) TOP2ATOP2BALDH1A1POLBKDM4E

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-5081254-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1992-01-14 US disclosed
EP-0306764-A2 4-Quinolone-3-carboxylic-acid derivatives and their use as antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-03-15 EP disclosed