SCHEMBL28634603

SCHEMBL28634603

Clc1ccc(Cc2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.54
ACP1 P24666 3/20 0.53
MAPT P10636 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 2/20 0.45
THRB P10828 1/20 0.45
PTGES O14684 1/20 0.45
ACHE P22303 1/20 0.45
PTGS2 P35354 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL28619856 0.85 ACHE (0.56) DHODHL3MBTL1SMN1; SMN2KDM4ELMNA
SCHEMBL28622146 0.85 ALDH1A1 (0.50) DHODHACP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL28098502 0.84 DHODH (0.53) DHODHACP1MAPTMAPK1NPC1
SCHEMBL28622149 0.84 MAPK1 (0.56) DHODHMAPTMAPK1NPC1RAB9A
SCHEMBL13848609 0.82 DHODH (0.52) DHODHACP1MAPTL3MBTL1NPC1
SCHEMBL16099161 0.79 ACACA (0.62) ACP1MAPTL3MBTL1MAPK1NPC1
SCHEMBL6534331 0.79 NPC1 (0.54) DHODHACP1MAPTL3MBTL1MAPK1
SCHEMBL27791832 0.78 MAPT (0.47) MAPTL3MBTL1MAPK1SMN1; SMN2KMT2A
SCHEMBL29399396 0.78 ACACA (0.65) DHODHACP1MAPTL3MBTL1MAPK1
SCHEMBL19050396 0.78 ACACA (0.65) DHODHACP1MAPTL3MBTL1MAPK1

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-113277978-B Preparation method of 2, 4-disubstituted quinoline compound 河南师范大学 2022-06-03 CN disclosed
CN-113277978-A Preparation method of 2, 4-disubstituted quinoline compound 河南师范大学 2021-08-20 CN disclosed