SCHEMBL262393

SCHEMBL262393

CCC(CC)n1cc(NC(=O)CN(C(=O)O)C(C)(C)C)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
FOXO1 Q12778 1/20 0.37
CREBBP Q92793 2/20 0.34
POLB P06746 1/20 0.31
PDE10A Q9Y233 1/20 0.31
SHMT2 P34897 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 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
SCHEMBL262831 0.86 MEN1 (0.47) KMT2AMEN1GAAFOXO1PDE10A
SCHEMBL4180734 0.84 MEN1 (0.49) KMT2AMEN1GAAFOXO1CREBBP
Hydrochloric Acid SCHEMBL261650 0.84 MEN1 (0.52) KMT2AMEN1GAAFOXO1CREBBP
SCHEMBL265623 0.83 KMT2A (0.53) KMT2AMEN1GAAFOXO1CREBBP
SCHEMBL263296 0.83 MEN1 (0.45) KMT2AMEN1GAAFOXO1CREBBP
SCHEMBL4165411 0.80 MEN1 (0.52) KMT2AMEN1GAAFOXO1CREBBP
SCHEMBL261932 0.80 MEN1 (0.52) KMT2AMEN1GAAFOXO1CREBBP
SCHEMBL261474 0.79 KMT2A (0.49) KMT2AMEN1GAAFOXO1CREBBP
SCHEMBL262164 0.79 MEN1 (0.52) KMT2AMEN1GAAFOXO1CREBBP
SCHEMBL261593 0.79 KMT2A (0.49) KMT2AMEN1GAAFOXO1CREBBP

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