SCHEMBL263743

SCHEMBL263743

CCC(C=C(C)C(=O)O)C(=O)Nc1cn(C(CC)CC)c2cc(NC3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
FOXO1 Q12778 1/20 0.37
CREBBP Q92793 2/20 0.33
POLB P06746 3/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
S1PR3 Q99500 1/20 0.31
PDE10A Q9Y233 1/20 0.31
S1PR1 P21453 1/20 0.30
SHMT2 P34897 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4164344 0.89 MEN1 (0.46) MEN1GAAKMT2AFOXO1CREBBP
SCHEMBL4164348 0.89 MEN1 (0.46) MEN1GAAKMT2AFOXO1CREBBP
SCHEMBL4164354 0.89 MEN1 (0.46) MEN1GAAKMT2AFOXO1CREBBP
SCHEMBL261593 0.89 KMT2A (0.49) MEN1GAAKMT2AFOXO1CREBBP
SCHEMBL265623 0.85 KMT2A (0.53) MEN1GAAKMT2AFOXO1CREBBP
SCHEMBL263742 0.85 MEN1 (0.45) MEN1GAAKMT2AFOXO1POLB
SCHEMBL261474 0.83 KMT2A (0.49) MEN1GAAKMT2AFOXO1CREBBP
SCHEMBL4180734 0.80 MEN1 (0.49) MEN1GAAKMT2AFOXO1CREBBP
Hydrochloric Acid SCHEMBL261650 0.80 MEN1 (0.52) MEN1GAAKMT2AFOXO1CREBBP
SCHEMBL4165411 0.80 MEN1 (0.52) MEN1GAAKMT2AFOXO1CREBBP

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
US-8133882-B2 Quinolone derivative or pharmaceutically acceptable salt thereof ASTELLAS PHARMA INC (JP) 2012-03-13 US disclosed
EP-1995240-B1 QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-02-22 EP disclosed