SCHEMBL29177322

SCHEMBL29177322

NC(=O)Oc1cc(CN2CCOCC2)cc(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ NCF1 P14598 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL29177310 0.83 KDM4E (0.46) ALDH1A1SMN1; SMN2KDM4EHRH3KMT2A
SCHEMBL29177190 0.83 ABL1 (0.50) ALDH1A1MAPTAOC3HPGDKDM4E
SCHEMBL29947770 0.81 PDE4B (0.44) ALDH1A1MAPTPDE4BSMN1; SMN2LMNA
SCHEMBL29177419 0.79 CNR1 (0.41) ALDH1A1MAPTPDE4BKDM4EKMT2A
SCHEMBL29115151 0.76 SMN1; SMN2 (0.60) AOC3SMN1; SMN2HPGDKDM4EHRH3
SCHEMBL29739553 0.76 ALDH1A1 (0.53) ALDH1A1MAPTPDE4BSMN1; SMN2LMNA
SCHEMBL29177423 0.76 ALDH1A1 (0.53) ALDH1A1MAPTPDE4BSMN1; SMN2LMNA
SCHEMBL29739537 0.75 SMN1; SMN2 (0.47) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL26739679 0.75 MAPT (0.43) ALDH1A1MAPTPDE4BSMN1; SMN2LMNA
SCHEMBL29177403 0.71 CNR2 (0.43) MAPTKDM4EKMT2A

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-117242060-A Isoindolinone compounds 蒙特罗萨医疗公司 2023-12-15 — — CN disclosed
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