SCHEMBL9692140

SCHEMBL9692140

CCN(CC)c1ccc([N+](=O)[O-])c(C=C2NC(=O)NC2=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.57
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
LMNA P02545 5/20 0.57
GSK3B P49841 1/20 0.57
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
THRB P10828 1/20 0.46
PTBP1 P26599 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.45
XDH P47989 1/20 0.43
RECQL P46063 2/20 0.43
MCL1 Q07820 1/20 0.43
POLB P06746 3/20 0.41
ALDH3A1 P30838 1/20 0.40
APAF1 O14727 1/20 0.39
HK1 P19367 1/20 0.39
DNMT1 P26358 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL9692136 1.00 MAPT (0.57) MAPTMEN1KMT2ALMNAGSK3B
SCHEMBL10757983 0.79 MAPT (0.56) MAPTMEN1KMT2ALMNAGSK3B
SCHEMBL10757993 0.79 MAPT (0.56) MAPTMEN1KMT2ALMNAGSK3B
SCHEMBL10656043 0.78 POLB (0.44) MAPTMEN1KMT2ALMNAGSK3B
SCHEMBL10656030 0.77 MAPT (0.45) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL10758203 0.77 POLB (0.66) MAPTMEN1KMT2ALMNAGSK3B
SCHEMBL10758207 0.77 POLB (0.66) MAPTMEN1KMT2ALMNAGSK3B
SCHEMBL9694281 0.76 ALDH3A1 (0.56) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL4106460 0.76 MEN1 (0.60) MAPTMEN1KMT2ALMNAGSK3B
SCHEMBL13846846 0.76 MEN1 (0.60) MAPTMEN1KMT2ALMNAGSK3B

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