SCHEMBL6593159

SCHEMBL6593159

CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.68
RECQL P46063 1/20 0.68
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
ALDH1A1 P00352 6/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
MAPT P10636 4/20 0.62
HTT P42858 2/20 0.62
TSHR P16473 1/20 0.60
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
RAC1 P63000 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL5182303 0.89 LMNA (0.69) LMNARECQLKMT2AMEN1ALDH1A1
SCHEMBL9843646 0.87 LMNA (0.66) LMNARECQLKMT2AMEN1ALDH1A1
SCHEMBL6769086 0.85 LMNA (0.64) LMNARECQLKMT2AMEN1ALDH1A1
SCHEMBL15562788 0.85 LMNA (0.58) LMNARECQLKMT2AMEN1ALDH1A1
SCHEMBL15562567 0.85 LMNA (0.64) LMNARECQLKMT2AMEN1ALDH1A1
SCHEMBL3792013 0.85 LMNA (0.64) LMNARECQLKMT2AMEN1ALDH1A1
SCHEMBL11577373 0.84 LMNA (0.63) LMNARECQLKMT2AMEN1ALDH1A1
SCHEMBL10937894 0.84 RAB9A (0.64) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL584346 0.83 ALDH1A1 (0.73) LMNARECQLKMT2AMEN1ALDH1A1
SCHEMBL2853073 0.81 LMNA (0.73) LMNARECQLKMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013024427-A1 NOVEL UREA DERIVATIVES AS TEC KINASE INHIBITORS AND USES THEREOF GLENMARK PHARMACEUTICALS S.A. (CH) 2013-02-21 WO disclosed
EP-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed