SCHEMBL24512337

SCHEMBL24512337

Cc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1SN1CCC(O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
PIM1 P11309 6/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB2 P05107 3/20 0.33
ICAM1 P05362 3/20 0.33
ITGAL P20701 3/20 0.33
CARM1 Q86X55 1/20 0.32
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
PDCD1 Q15116 2/20 0.31
CD274 Q9NZQ7 2/20 0.31
CDC7 O00311 1/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
PDPK1 O15530 1/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PAK4 O96013 1/20 0.31

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
SCHEMBL24512285 0.93 NPY5R (0.38) NPY5RPIM1POLBL3MBTL1ITGB2
SCHEMBL24512480 0.91 POLB (0.36) NPY5RPOLBL3MBTL1
SCHEMBL24512352 0.82 ITGB2 (0.38) NPY5RPOLBL3MBTL1ITGB2ICAM1
SCHEMBL24512323 0.80 CNR1 (0.40) NPY5RPOLBL3MBTL1HCRTR1
SCHEMBL24512299 0.75 ALDH1A1 (0.39) POLBL3MBTL1MAPK1HCRTR1
SCHEMBL24512122 0.74 CNR2 (0.44) POLBHCRTR1HCRTR2
SCHEMBL30899260 0.74 CNR2 (0.44) POLBHCRTR1HCRTR2
SCHEMBL4521731 0.74 HTR1A (0.35) L3MBTL1
SCHEMBL24512287 0.74 ALDH1A1 (0.36) POLBL3MBTL1MAPK1HCRTR1
SCHEMBL24512300 0.72 PIK3C3 (0.37)

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