SCHEMBL24512299

SCHEMBL24512299

Cc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1SN1CCC2(CC1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 7/20 0.39
LMNA P02545 6/20 0.39
HPGD P15428 5/20 0.39
L3MBTL1 Q9Y468 5/20 0.39
HCRTR1 O43613 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
HSD17B10 Q99714 4/20 0.35
POLB P06746 3/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL24512287 0.96 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL24512341 0.88 LMNA (0.33) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL24512323 0.85 CNR1 (0.40) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL24512303 0.82 DGAT1 (0.41)
SCHEMBL24512285 0.79 NPY5R (0.38) ALDH1A1KDM4ELMNAL3MBTL1HCRTR1
SCHEMBL24512477 0.78 L3MBTL1 (0.33) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL29717098 0.77 POLB (0.49) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL24512238 0.77 POLB (0.49) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL24512480 0.77 POLB (0.36) L3MBTL1MAPTNPC1RAB9AGAA
SCHEMBL24512276 0.76 CNR1 (0.39) ALDH1A1KDM4ELMNAHPGDMAPT

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-2022125989-A1 COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS SCRIPPS RESEARCH INSTITUTE, THE (US) 2022-06-16 WO disclosed