SCHEMBL24512285

SCHEMBL24512285

Cc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1SN1CCC(O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.38
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PIM1 P11309 3/20 0.34
AURKA O14965 2/20 0.34
CDC7 O00311 1/20 0.34
PLK4 O00444 1/20 0.34
CHEK1 O14757 1/20 0.34
PDPK1 O15530 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34
PAK4 O96013 1/20 0.34
CHEK2 O96017 1/20 0.34
EGFR P00533 1/20 0.34
NTRK1 P04629 1/20 0.34
PRKCG P05129 1/20 0.34
INSR P06213 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CDK1 P06493 1/20 0.34

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
SCHEMBL24512337 0.93 NPY5R (0.35) NPY5RPOLBL3MBTL1PIM1AURKA
SCHEMBL24512480 0.88 POLB (0.36) NPY5RPOLBL3MBTL1GAAMAPT
SCHEMBL24512352 0.86 ITGB2 (0.38) NPY5RPOLBL3MBTL1ITGB2ICAM1
SCHEMBL24512323 0.84 CNR1 (0.40) NPY5RPOLBL3MBTL1KDM4EMEN1
SCHEMBL24512299 0.79 ALDH1A1 (0.39) POLBL3MBTL1MAPK1KDM4EMEN1
SCHEMBL24512287 0.78 ALDH1A1 (0.36) POLBL3MBTL1MAPK1KDM4EMEN1
SCHEMBL27199057 0.76 CNR2 (0.48) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL24512300 0.74 PIK3C3 (0.37)
SCHEMBL24512324 0.74 CNR1 (0.39) CDK2GSK3BDYRK1AALDH1A1MAPT
SCHEMBL24512279 0.74 CNR1 (0.39) POLBMAPK1KDM4EMEN1ALDH1A1

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