SCHEMBL24512352

SCHEMBL24512352

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.38
ICAM1 P05362 4/20 0.38
ITGAL P20701 4/20 0.38
AKR1C3 P42330 3/20 0.35
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
ACHE P22303 5/20 0.33
NPY5R Q15761 1/20 0.33
BCHE P06276 3/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CARM1 Q86X55 1/20 0.32
CYP11B2 P19099 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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 0.86 NPY5R (0.38) ITGB2ICAM1ITGALNPY5RCARM1
SCHEMBL24512337 0.82 NPY5R (0.35) ITGB2ICAM1ITGALNPY5RCARM1
SCHEMBL24512480 0.79 POLB (0.36) NPY5RPOLBL3MBTL1
SCHEMBL24512323 0.79 CNR1 (0.40) ACHENPY5RPOLBL3MBTL1
SCHEMBL29717121 0.79 CNR1 (0.46) ALOX5APFEN1POLB
SCHEMBL24512148 0.79 CNR1 (0.46) ALOX5APFEN1POLB
SCHEMBL24512299 0.75 ALDH1A1 (0.39) POLBL3MBTL1
SCHEMBL24512287 0.73 ALDH1A1 (0.36) POLBL3MBTL1
SCHEMBL24512358 0.73 DRD2 (0.39) L3MBTL1
SCHEMBL24512143 0.73 MAP4K1 (0.35) ACHE

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