SCHEMBL28698328

SCHEMBL28698328

Clc1ccccc1-c1ccc(N2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.55
▸ CYP2A6 P11509 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ PLA2G1B P04054 1/20 0.47
▸ ATG4B Q9Y4P1 1/20 0.47
▸ CNR1 P21554 2/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ TP53 P04637 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
SCHEMBL28698330 0.81 CSNK2A1 (0.45) CYP2A6MAPTL3MBTL1RAB9ALMNA
SCHEMBL3892797 0.79 ALDH1A1 (0.49) MAPTL3MBTL1RAB9ASMN1; SMN2TDP1
SCHEMBL14060017 0.78 ALDH1A1 (0.40) CNR2CYP2A6MAPTL3MBTL1RAB9A
SCHEMBL28698347 0.77 SMN1; SMN2 (0.47) MAPTL3MBTL1RAB9ALMNAMAPK1
SCHEMBL4027686 0.77 CHKA (0.57) MAPTL3MBTL1RAB9ALMNAMAPK1
SCHEMBL31013493 0.76 ALDH1A1 (0.62) MAPTL3MBTL1RAB9ALMNAMAPK1
Fluoride SCHEMBL27569609 0.75 CHKA (0.56) MAPTL3MBTL1RAB9ALMNAMAPK1
SCHEMBL17120712 0.75 ESR2 (0.53) CNR2MAPTL3MBTL1RAB9ALMNA
SCHEMBL22816853 0.75 KIF11 (0.45) MAPTL3MBTL1LMNAMAPK1SMN1; SMN2
SCHEMBL28713547 0.75 S1PR1 (0.66) MAPTL3MBTL1RAB9ALMNAMAPK1

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
CN-114206843-A Compounds for modulating proprotein convertase subtilisin/Kexin type 9(PCSK9) SRX心脏有限责任公司 2022-03-18 — — CN disclosed
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