SCHEMBL29177190

SCHEMBL29177190

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ MGLL Q99685 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ AOC3 Q16853 1/20 0.43
▸ EPHX2 P34913 6/20 0.41
▸ KCNJ1 P48048 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HIF1A Q16665 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ LSS P48449 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL29177240 0.83 EPHX2 (0.52) ABL1ALDH1A1EPHX2KDM4ETSHR
SCHEMBL29177322 0.83 ALDH1A1 (0.45) ABL1KCNH2ALDH1A1AOC3HPGD
SCHEMBL27292140 0.81 KCNH2 (0.47) ABL1KCNH2MGLLALDH1A1HPGD
SCHEMBL29177219 0.78 CNR2 (0.47) ABL1KCNH2MGLLKCNJ1
SCHEMBL29115151 0.76 SMN1; SMN2 (0.60) AOC3HPGDKDM4EHIF1AEPAS1
SCHEMBL29177263 0.76 ALDH1A1 (0.53) ABL1KCNH2ALDH1A1KCNJ1HPGD
SCHEMBL30695916 0.76 ALDH1A1 (0.53) ABL1KCNH2ALDH1A1KCNJ1HPGD
SCHEMBL31441055 0.75 ABL1 (0.55) ABL1KCNH2ALDH1A1EPHX2HPGD
SCHEMBL29739488 0.75 ABL1 (0.55) ABL1KCNH2ALDH1A1EPHX2HPGD
SCHEMBL26739652 0.75 ABL1 (0.49) ABL1KCNH2MGLLALDH1A1EPHX2

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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