SCHEMBL11242887

SCHEMBL11242887

CCOC(=O)c1cnc2c(OC)ccc(C)c2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9829613 0.92 DPP4 (0.57) DPP4KMT2AMEN1MAPTPOLB
SCHEMBL11240081 0.86 DPP4 (0.53) DPP4KMT2AMEN1MAPTKDM4E
SCHEMBL5666906 0.83 DPP4 (0.53) DPP4KMT2AMEN1MAPTPOLB
SCHEMBL13313455 0.81 MEN1 (0.55) DPP4KMT2AMEN1MAPTKDM4E
SCHEMBL11250968 0.81 DPP4 (0.58) DPP4KMT2AMEN1MAPTKDM4E
SCHEMBL440489 0.81 DPP4 (0.53) DPP4KMT2AMEN1MAPTPOLB
SCHEMBL18285392 0.80 MEN1 (0.63) DPP4KMT2AMEN1MAPTPOLB
SCHEMBL774503 0.80 MEN1 (0.67) KMT2AMEN1MAPTKDM4ELMNA
SCHEMBL18987613 0.79 MEN1 (0.62) DPP4KMT2AMEN1MAPTPOLB
SCHEMBL18988084 0.78 MEN1 (0.61) DPP4KMT2AMEN1MAPTPOLB

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-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 US disclosed