SCHEMBL9045182

SCHEMBL9045182

O=C(O)Oc1cn(-c2ccc(F)c([N+](=O)[O-])c2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
VCAM1 P19320 1/20 0.36
PIM1 P11309 1/20 0.36
LMNA P02545 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 5/20 0.36
HTT P42858 4/20 0.36
MITF O75030 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.35
POLB P06746 1/20 0.35
TOP1 P11387 1/20 0.34
RAC1 P63000 1/20 0.33

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
SCHEMBL9045179 0.87 LMNA (0.48) NPC1VCAM1PIM1LMNAKMT2A
SCHEMBL8137478 0.86 ALDH1A1 (0.43) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9047798 0.85 ALDH1A1 (0.46) NPC1VCAM1PIM1LMNAKMT2A
SCHEMBL9043171 0.83 TOP1 (0.42) NPC1VCAM1PIM1LMNAKMT2A
SCHEMBL9046549 0.82 LMNA (0.39) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL8130741 0.81 LMNA (0.51) PIM1LMNAKMT2AMEN1ALDH1A1
SCHEMBL6211765 0.81 LMNA (0.42) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL9046429 0.75 KMT2A (0.36) PIM1LMNAKMT2AMEN1ALDH1A1
SCHEMBL9055165 0.74 LMNA (0.40) LMNAKMT2AMEN1ALDH1A1KDM4E
SCHEMBL6214250 0.73 LMNA (0.45) LMNAKMT2AMEN1ALDH1A1KDM4E

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
EP-0422485-B1 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1996-04-03 EP disclosed
EP-0422485-A2 Quinolone carboxylic acid derivatives, process for their preparation and their use BAYER AG (DE) 1991-04-17 EP disclosed