SCHEMBL6973377

SCHEMBL6973377

CCC(=O)Nc1cc(F)c([N+](=O)[O-])cc1NC(=O)CC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.47
RECQL P46063 2/20 0.46
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL28980700 0.81 RECQL (0.43) LMNARECQLKMT2AMEN1MAPT
SCHEMBL6593159 0.79 LMNA (0.68) LMNARECQLKMT2AMEN1L3MBTL1
SCHEMBL6974150 0.77 L3MBTL1 (0.45) LMNARECQLKMT2AMEN1L3MBTL1
SCHEMBL21765907 0.77 TSHR (0.51) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL28829630 0.76 MAPT (0.49) LMNARECQLKMT2AMEN1MAPT
SCHEMBL12824738 0.76 L3MBTL1 (0.41) LMNARECQLKMT2AMEN1L3MBTL1
SCHEMBL9846815 0.75 MEN1 (0.41) LMNARECQLKMT2AMEN1MAPT
SCHEMBL6114931 0.74 KMT2A (0.78) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL2309925 0.74 LMNA (0.50) LMNAKMT2AMEN1L3MBTL1MAPT
SCHEMBL30748250 0.74 NPSR1 (0.50) LMNAKMT2AMEN1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855391-B1 NOVEL ISOQUINOLINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-10-15 EP disclosed
US-5959107-A Isoquinoline derivatives SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-09-28 US disclosed
EP-0855391-A1 NOVEL ISOQUINOLINE DERIVATIVES SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1998-07-29 EP disclosed