SCHEMBL9693729

SCHEMBL9693729

CCOC(=O)C1CCCN(c2ccc([N+](=O)[O-])c(C=C3NC(=O)NC3=O)c2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 7/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
USP2 O75604 1/20 0.51
THRB P10828 1/20 0.51
S100A4 P26447 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.41

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
SCHEMBL9693725 1.00 ALDH1A1 (0.51) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL9693529 0.90 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL9693533 0.90 MAPT (0.61) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL9693775 0.83 MAPT (0.42) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL9693771 0.83 MAPT (0.42) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL9691817 0.82 MAPT (0.53) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL9691823 0.82 MAPT (0.53) ALDH1A1MAPTKMT2APOLBMEN1
SCHEMBL9693493 0.79 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL9693489 0.79 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1CYP1A2
SCHEMBL9691943 0.78 HPGD (0.51) ALDH1A1MAPTKMT2AMEN1CYP1A2

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