SCHEMBL28046901

SCHEMBL28046901

Cc1ccc2c(-c3ccccc3)cc(C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.51
ALDH1A1 P00352 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GRM2 Q14416 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SLC2A1 P11166 1/20 0.48
CYP1A2 P05177 2/20 0.46
HPGD P15428 3/20 0.45
USP2 O75604 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 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
SCHEMBL14409758 0.88 ALDH1A1 (0.65) PSMB5ALDH1A1KDM4EMAPTLMNA
SCHEMBL30064613 0.88 ALDH1A1 (0.65) PSMB5ALDH1A1KDM4EMAPTLMNA
SCHEMBL18698066 0.86 ALDH1A1 (0.68) PSMB5ALDH1A1KDM4EMAPTLMNA
SCHEMBL1104820 0.85 CYP1A2 (0.62) ALDH1A1KDM4EMAPTNPSR1CYP1A2
SCHEMBL28317085 0.84 CYP1A2 (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A
Iodide SCHEMBL30847747 0.84 CYP1A2 (0.60) ALDH1A1KDM4EMAPTNPSR1CYP1A2
SCHEMBL12569368 0.83 GRM2 (0.50) PSMB5ALDH1A1KDM4EMAPTLMNA
SCHEMBL28046810 0.83 POLB (0.60) ALDH1A1KDM4EMAPTLMNAGRM2
SCHEMBL28046862 0.83 AURKA (0.45) PSMB5ALDH1A1KDM4EMAPTGRM2
SCHEMBL18731749 0.82 CYP1A2 (0.58) ALDH1A1KDM4EMAPTNPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198806-B A kind of method using aromatic amine, diketone synthesis of quinoline derivatives 南阳师范学院 2017-11-21 CN claimed
CN-105198806-A Method for synthesizing quinoline by aromatic amine and diketone UNIV NANYANG NORMAL 2015-12-30 CN claimed
CN-105198806-B A kind of method using aromatic amine, diketone synthesis of quinoline derivatives 南阳师范学院 2017-11-21 CN disclosed
CN-105198806-A Method for synthesizing quinoline by aromatic amine and diketone UNIV NANYANG NORMAL 2015-12-30 CN disclosed