SCHEMBL24220417

SCHEMBL24220417

Cc1ccc(N2CCN(S(=O)(=O)CC(C)CN3CCCC3)CC2)cc1NC(=O)c1coc(N)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PAICS P22234 11/20 0.38
▸ PTGDR Q13258 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RECQL P46063 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
SCHEMBL20339059 0.92 PAICS (0.37) PAICSPTGDRCCR5
SCHEMBL20351996 0.82 PAICS (0.37) PAICSPTGDRMAPTCCR5ALDH1A1
SCHEMBL20339045 0.81 PAICS (0.38) PAICSPTGDRCCR5
SCHEMBL21571663 0.80 PAICS (0.37) PAICSPTGDRCCR5
SCHEMBL21571621 0.80 PAICS (0.38) PAICSPTGDR
SCHEMBL21571635 0.79 PAICS (0.39) PAICSPTGDRMAPTCCR5ALDH1A1
SCHEMBL21571655 0.79 PAICS (0.35) PAICSPTGDRMAPTALDH1A1
SCHEMBL24220538 0.78 PAICS (0.42) PAICS
SCHEMBL24220415 0.78 PAICS (0.43) PAICSCCR5
SCHEMBL21571659 0.77 PAICS (0.52) PAICS

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
EP-3562824-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-01-26 — — EP disclosed
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