SCHEMBL28429182

SCHEMBL28429182

CCOC(=O)c1nc2ccccc2nc1Sc1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
LMNA P02545 2/20 0.67
NPSR1 Q6W5P4 4/20 0.64
HPGD P15428 2/20 0.57
GLP1R P43220 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL28420857 0.88 TDP1 (0.57) MAPTLMNANPSR1HPGDGLP1R
SCHEMBL28422024 0.85 MAPT (0.49) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL28422077 0.80 ALOX12 (0.64) MAPTLMNANPSR1HPGDGLP1R
SCHEMBL29889924 0.79 PKM (0.46) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL28427552 0.78 TARBP2 (0.46) MAPTLMNANPSR1ALDH1A1TDP1
SCHEMBL2019580 0.77 MAPT (0.49) MAPTNPSR1HPGDGLP1RALDH1A1
SCHEMBL28423614 0.75 ALOX12 (0.48) MAPTLMNANPSR1ALDH1A1TDP1
SCHEMBL11254260 0.74 HSD17B10 (0.49) MAPTLMNAHPGDALDH1A1KDM4E
SCHEMBL21296944 0.74 MAPT (0.56) MAPTLMNANPSR1HPGDALDH1A1
SCHEMBL29799115 0.74 MAPT (0.56) MAPTLMNANPSR1HPGDALDH1A1

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-110981819-B Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2022-07-01 CN disclosed
CN-110981819-A Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2020-04-10 CN disclosed