SCHEMBL28280669

SCHEMBL28280669

Cc1cc(C)c2ccc(C=O)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 1/20 0.51
MPI P34949 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PSMB5 P28074 4/20 0.42
CCR1 P32246 1/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 1/20 0.38
TYMS P04818 1/20 0.38
GRM2 Q14416 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
PSMB1 P20618 1/20 0.35
BACE1 P56817 1/20 0.34

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
SCHEMBL29952948 0.78 MAPT (0.47) KDM4EALDH1A1MAPTCCR1POLB
SCHEMBL3530571 0.77 CYP1A2 (0.55) KDM4EALDH1A1KMT2ASMN1; SMN2CCR1
SCHEMBL1562526 0.76 POLB (0.55) KDM4EALDH1A1MAPTMEN1MPI
SCHEMBL31186680 0.76 POLB (0.55) KDM4EALDH1A1MAPTMEN1MPI
SCHEMBL24188646 0.73 PSMB5 (0.45) KDM4EALDH1A1MAPTMEN1MPI
SCHEMBL4101758 0.73 POLB (0.52) KDM4EALDH1A1MAPTMEN1MPI
SCHEMBL30502987 0.73 POLB (0.52) KDM4EALDH1A1MAPTMEN1MPI
SCHEMBL10974039 0.73 CYP1A2 (0.49) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3085387 0.72 KDM4E (0.67) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL10740204 0.72 CYP1A2 (0.57) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109422680-B Synthesis method of N-acetylquinoline-2-amide and derivatives thereof 浙江工业大学 2020-10-27 CN disclosed
CN-109422680-A A kind of synthetic method of N- acetylquinoline -2- amide and its derivative 浙江工业大学 2019-03-05 CN disclosed