SCHEMBL28698330

SCHEMBL28698330

Clc1cc(N2CCCCC2)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 2/20 0.45
▸ AVPR2 P30518 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ LMNA P02545 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 5/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ PDK2 Q15119 1/20 0.42
▸ MAPT P10636 4/20 0.42
▸ S100B P04271 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ TERT O14746 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL22816853 0.83 KIF11 (0.45) AVPR2LMNASMN1; SMN2MEN1KMT2A
SCHEMBL28698328 0.81 CNR2 (0.55) CYP2A6LMNASMN1; SMN2MEN1KMT2A
SCHEMBL18411537 0.79 PDK2 (0.46) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7715055 0.77 ADRB1 (0.66) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL28713548 0.76 HTR7 (0.55) LMNASMN1; SMN2L3MBTL1TDP1ALDH1A1
SCHEMBL4027686 0.75 CHKA (0.57) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL9830834 0.75 ADRB1 (0.68) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL13425581 0.74 KIF11 (0.45) LMNAMEN1KMT2AL3MBTL1TDP1
SCHEMBL30228205 0.74 MEN1 (0.69) LMNASMN1; SMN2MEN1KMT2AL3MBTL1
Fluoride SCHEMBL27569609 0.74 CHKA (0.56) LMNASMN1; SMN2MEN1KMT2AL3MBTL1

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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