SCHEMBL9047795

SCHEMBL9047795

O=C(O)c1cn(-c2ccc(F)c([N+](=O)[O-])c2)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 2/20 0.60
HSP90AA1 P07900 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
PIM1 P11309 4/20 0.53
HTT P42858 3/20 0.53
TOP1 P11387 4/20 0.52
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
STAT3 P40763 3/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
TOP2A P11388 2/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.38
TOP2B Q02880 1/20 0.38

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
SCHEMBL9043165 0.91 TOP1 (0.55) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL9047798 0.87 ALDH1A1 (0.46) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL9869480 0.85 ALDH1A1 (0.72) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL9045179 0.84 LMNA (0.48) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL7009332 0.83 TOP1 (0.58) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL9869850 0.82 ALDH1A1 (0.65) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL9869597 0.82 ALDH1A1 (0.64) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL6213800 0.81 ALDH1A1 (0.67) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL10372132 0.80 ALDH1A1 (0.65) ALDH1A1POLBKDM4EHSP90AA1RXFP1
SCHEMBL6214789 0.80 KDM4E (0.65) ALDH1A1POLBKDM4EHSP90AA1RXFP1

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-0422485-B1 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1996-04-03 EP disclosed
US-5300643-A Viricides BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
US-5217972-A QUINOLONECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed