SCHEMBL9045162

SCHEMBL9045162

CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(N)cc2)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.85
MEN1 O00255 3/20 0.85
KMT2A Q03164 3/20 0.85
ALDH1A1 P00352 9/20 0.65
KDM4E B2RXH2 9/20 0.65
HPGD P15428 4/20 0.65
HSD17B10 Q99714 4/20 0.65
DRD3 P35462 1/20 0.64
NPC1 O15118 1/20 0.59
TOP1 P11387 1/20 0.57
TOP2A P11388 1/20 0.57
GAA P10253 1/20 0.53
RAD52 P43351 1/20 0.53
MAPT P10636 1/20 0.50
BRD4 O60885 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
CYP2J2 P51589 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49

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
Difloxacin SCHEMBL29695838 0.92 LMNA (1.00) LMNAMEN1KMT2AALDH1A1KDM4E
Difloxacin SCHEMBL148765 0.92 LMNA (1.00) LMNAMEN1KMT2AALDH1A1KDM4E
Difloxacin SCHEMBL203110 0.91 LMNA (0.98) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9787515 0.91 LMNA (0.86) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10531040 0.91 LMNA (0.86) LMNAMEN1KMT2AALDH1A1KDM4E
Difloxacin SCHEMBL27973383 0.90 LMNA (0.96) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9047088 0.88 MEN1 (0.67) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10861606 0.88 LMNA (0.82) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL9044286 0.88 ALDH1A1 (0.83) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL10776491 0.87 LMNA (0.80) LMNAMEN1KMT2AALDH1A1KDM4E

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