SCHEMBL29196258

SCHEMBL29196258

Clc1ccc2cc(Cl)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
CHRNA7 P36544 3/20 0.37
BCKDK O14874 1/20 0.36
MCL1 Q07820 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL10911505 0.81 ESR1 (0.44) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL5336284 0.81 CYP2A6 (0.41) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL8154603 0.77 HDAC3 (0.49) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL21632697 0.77 ALDH1A1 (0.38) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL2089290 0.77 KDM4E (0.38) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL23149843 0.77 GAA (0.38) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL144486 0.77 ALDH1A1 (0.38) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL5646366 0.77 CYP2A6 (0.38) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL16279422 0.77 KDM4E (0.38) CYP2A6KDM4EALDH1A1GAAMEN1
SCHEMBL29604746 0.73 CYP2A6 (0.48) CYP2A6LOXL2APPSIGMAR1

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-114752577-B Momordica grosvenori-derived glycosyltransferase mutant and application thereof 桂林莱茵生物科技股份有限公司 2024-04-16 CN disclosed