SCHEMBL24512341

SCHEMBL24512341

Cc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1SN1CCCC2(C1)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HCRTR1 O43613 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL24512299 0.88 ALDH1A1 (0.39) LMNAALDH1A1L3MBTL1KDM4EHCRTR1
SCHEMBL24512287 0.86 ALDH1A1 (0.36) LMNAALDH1A1L3MBTL1KDM4EHCRTR1
SCHEMBL24512323 0.82 CNR1 (0.40) LMNAALDH1A1L3MBTL1KDM4EHCRTR1
SCHEMBL24512215 0.77 CNR1 (0.46) LMNAALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL24512303 0.75 DGAT1 (0.41)
SCHEMBL24512285 0.74 NPY5R (0.38) LMNAALDH1A1L3MBTL1KDM4EHCRTR1
SCHEMBL24512480 0.73 POLB (0.36) L3MBTL1MAPTPOLBGAANPC1
SCHEMBL24512324 0.73 CNR1 (0.39) ALDH1A1HPGDMAPT
SCHEMBL24512279 0.73 CNR1 (0.39) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL24512276 0.73 CNR1 (0.39) LMNAALDH1A1KDM4EHPGDMAPT

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