SCHEMBL24196017

SCHEMBL24196017

Sc1ccc(-c2ccoc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
ERN1 O75460 3/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TOP2A P11388 1/20 0.35
NPBWR1 P48145 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
LMNA P02545 1/20 0.34
IMPDH2 P12268 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL1772039 0.87 LPL (0.54) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL7191487 0.81 LPL (0.46) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL5781692 0.77 CTRC (0.48) LPLLIPGERN1ALDH1A1CYP1A2
SCHEMBL571400 0.76
SCHEMBL11678582 0.75 LPL (0.50) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL11677935 0.75 CNR1 (0.46) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL10670976 0.75 PARP1 (0.50) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL23089908 0.75 ACHE (0.46) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL3298791 0.75 LPL (0.46) LPLLIPGERN1SLC6A4SLC6A3
SCHEMBL1016530 0.75 ALDH1A1 (0.55) LPLLIPGERN1SLC6A4SLC6A3

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
WO-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed