SCHEMBL6974150

SCHEMBL6974150

CCCC(=O)Nc1cc([N+](=O)[O-])c(F)cc1N

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RECQL P46063 2/20 0.39
GAA P10253 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL12824738 0.80 L3MBTL1 (0.41) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL6974180 0.78 ALDH1A1 (0.46) HDAC1LMNAMEN1KMT2AALDH1A1
SCHEMBL6973377 0.77 LMNA (0.47) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL1465528 0.76 LMNA (0.38) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL5182303 0.76 LMNA (0.69) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL28829630 0.75 MAPT (0.49) HDAC1LMNAMEN1KMT2AALDH1A1
SCHEMBL30152255 0.74 GAA (0.45) L3MBTL1LMNAMEN1KMT2AALDH1A1
SCHEMBL11281301 0.72 KMT2A (0.73) L3MBTL1HDAC1LMNAMEN1KMT2A
SCHEMBL11043074 0.70 L3MBTL1 (0.52) L3MBTL1HDAC1LMNAMEN1KMT2A
SCHEMBL15239774 0.70 HCAR3 (0.54) L3MBTL1LMNAALDH1A1MAPTSMN1; SMN2

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