SCHEMBL9694281

SCHEMBL9694281

CCN(CC)c1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 3/20 0.56
ALDH1A1 P00352 11/20 0.56
MAPT P10636 11/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
LMNA P02545 4/20 0.56
THRB P10828 2/20 0.56
PTBP1 P26599 1/20 0.56
ALDH1A3 P47895 1/20 0.47
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HCAR3 P49019 1/20 0.44
CYP3A4 P08684 2/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 3/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL11791340 0.88 ALDH3A1 (0.56) ALDH3A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3837461 0.82 MAPT (0.51) ALDH3A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3837463 0.82 MAPT (0.51) ALDH3A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2502259 0.82 MAPT (0.62) ALDH3A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL14180498 0.79 TDP1 (0.55) ALDH3A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3835000 0.79 MAPT (0.67) ALDH3A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16284334 0.79 ALDH1A1 (0.46) ALDH3A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28379902 0.78 ALDH1A1 (0.67) ALDH3A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6202561 0.78 MAPT (0.42) ALDH3A1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6081882 0.78 GPR35 (0.51) ALDH3A1ALDH1A1MAPTMEN1KMT2A

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-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP disclosed
EP-0252503-A1 Aminoimidazoquinoline derivatives Bristol-Myers Squibb Company (US) 1988-01-13 EP disclosed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 US disclosed