SCHEMBL29545899

SCHEMBL29545899

NC(=O)c1cn(CC(=O)O)c2ccc(-c3cnc4c(c3)CCC4)cc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ICMT O60725 1/20 0.39
▸ CFD P00746 6/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ GRIN2B Q13224 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ CYP11B2 P19099 5/20 0.34
▸ HTT P42858 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
SCHEMBL18554967 1.00 ICMT (0.39) ICMTCFDPTGDR2ALDH1A1KDM4E
SCHEMBL29841081 0.87 ICMT (0.38) ICMTCFDALDH1A1KDM4EGRIN2B
SCHEMBL18591239 0.87 ICMT (0.38) ICMTCFDALDH1A1KDM4EGRIN2B
SCHEMBL18555286 0.84 ICMT (0.43) ICMTCFDPTGDR2ALDH1A1KDM4E
SCHEMBL29546024 0.84 ICMT (0.43) ICMTCFDPTGDR2ALDH1A1KDM4E
SCHEMBL18555919 0.82 ICMT (0.45) ICMTCFDPTGDR2ALDH1A1KDM4E
SCHEMBL29774917 0.82 ICMT (0.45) ICMTCFDPTGDR2ALDH1A1KDM4E
SCHEMBL29545636 0.80 ICMT (0.48) ICMTCFDALDH1A1KDM4EGRIN2B
SCHEMBL18554993 0.80 ICMT (0.48) ICMTCFDALDH1A1KDM4EGRIN2B
SCHEMBL18591230 0.80 MKNK1 (0.44) ICMTCFDALDH1A1KDM4EKMT2A

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
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 — — CN disclosed
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