SCHEMBL19286334

SCHEMBL19286334

CCNc1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.97

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.97
L3MBTL1 Q9Y468 3/20 0.79
MAPK1 P28482 3/20 0.79
ALDH1A1 P00352 5/20 0.77
KMT2A Q03164 4/20 0.74
MEN1 O00255 2/20 0.74
CYP1A2 P05177 5/20 0.73
CYP2C9 P11712 5/20 0.73
CYP2C19 P33261 5/20 0.73
HPGD P15428 2/20 0.73
HTT P42858 2/20 0.73
CYP3A4 P08684 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
DCTPP1 Q9H773 2/20 0.62
LMNA P02545 1/20 0.61

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
SCHEMBL3614295 0.88 MAPK1 (1.00) MAPTL3MBTL1MAPK1ALDH1A1DCTPP1
SCHEMBL22778043 0.87 MAPT (0.79) MAPTL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL3616361 0.87 MAPT (1.00) MAPTL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL3616157 0.84 MAPK1 (0.74) MAPTL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL3616153 0.84 MAPK1 (0.74) MAPTL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL14825216 0.83 MAPT (1.00) MAPTL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL27967669 0.82 MAPT (0.74) MAPTL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL28300995 0.82 MAPT (0.74) MAPTL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL25855470 0.81 HPGD (0.73) MAPTL3MBTL1MAPK1ALDH1A1KMT2A
SCHEMBL16284337 0.80 HPGD (0.68) MAPTL3MBTL1MAPK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744171-B2 Positive allosteric modulators for melanocortin receptors VANDERBILT UNIVERSITY (US) 2017-08-29 US disclosed