SCHEMBL9564460

SCHEMBL9564460

CN1CCN(c2cc3c(cc2N)c(=O)cc(C(=O)O)n3-c2ccc(F)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
PTK2B Q14289 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HSD17B10 Q99714 3/20 0.40
HTR1B P28222 3/20 0.39

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
SCHEMBL9564467 0.78 KDM4E (0.41) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9044266 0.73 TDP1 (0.44) LMNAKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL6807011 0.70 LMNA (0.55) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9564472 0.67 KDM4E (0.42) LMNAMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL9564469 0.67 LGMN (0.41) LMNAMEN1KMT2AALDH1A1TP53
Difloxacin SCHEMBL148765 0.66 LMNA (1.00) LMNAMEN1KMT2AALDH1A1NPC1
Difloxacin SCHEMBL29695838 0.66 LMNA (1.00) LMNAMEN1KMT2AALDH1A1NPC1
SCHEMBL9564482 0.65 KDM4E (0.38) LMNAALDH1A1L3MBTL1NPC1RAB9A
Difloxacin SCHEMBL203110 0.65 LMNA (0.98) LMNAMEN1KMT2AALDH1A1NPC1
SCHEMBL18861760 0.65 ALDH1A1 (0.75) LMNAMEN1KMT2AALDH1A1L3MBTL1

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
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed