SCHEMBL27366705

SCHEMBL27366705

NNc1c(F)c(N2CCC(N)C2)c(F)c2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
TOP2A P11388 12/20 0.50
TOP2B Q02880 7/20 0.50
TOP1 P11387 4/20 0.50
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHA2 P29317 1/20 0.45
FLT4 P35916 1/20 0.45
GSK3B P49841 1/20 0.45
RARB P10826 1/20 0.45
TBXAS1 P24557 1/20 0.45

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
SCHEMBL8890224 1.00 KMT2A (0.57) KMT2ATOP2ATOP2BTOP1KDM4E
Hydrochloric Acid SCHEMBL8800189 0.99 KMT2A (0.57) KMT2ATOP2ATOP2BTOP1KDM4E
SCHEMBL5868717 0.89 KMT2A (0.60) KMT2ATOP2ATOP2BTOP1ALDH1A1
SCHEMBL8619695 0.89 KMT2A (0.60) KMT2ATOP2ATOP2BTOP1ALDH1A1
SCHEMBL9088866 0.85 KMT2A (0.60) KMT2ATOP2ATOP2BTOP1ALDH1A1
SCHEMBL9869658 0.84 KMT2A (0.69) KMT2ATOP2ATOP2BTOP1ALDH1A1
SCHEMBL9085092 0.83 KMT2A (0.57) KMT2ATOP2ATOP2BTOP1ALDH1A1
SCHEMBL9088918 0.81 KMT2A (0.55) KMT2ATOP2ATOP2BTOP1EPHA2
SCHEMBL8888976 0.81 POLB (0.58) KMT2ATOP2ATOP2BALDH1A1POLB
SCHEMBL8888963 0.81 POLB (0.58) KMT2ATOP2ATOP2BALDH1A1POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1064357-C Novel antimicrobial 5-(N-heterosubstituted amino) quinolones PROCTER & GAMBLE (US) 2001-04-11 CN claimed