SCHEMBL27822931

SCHEMBL27822931

CC(=O)OC(C)(C)CNC(=O)Cc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ RECQL P46063 1/20 0.49
▸ ITGB1 P05556 1/20 0.39
▸ ITGA5 P08648 1/20 0.39
▸ MITF O75030 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL2510160 0.82 LMNA (0.52) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL27841981 0.81 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2GAA
SCHEMBL27841972 0.81 SMN1; SMN2 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL27822933 0.80 ALDH1A1 (0.43) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2339087 0.75 LMNA (0.55) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL5735718 0.74 ALDH1A1 (0.55) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL29875166 0.74 ALDH1A1 (0.55) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL27842003 0.73 EPHX2 (0.40) LMNASMN1; SMN2MAPTHTTNPC1
SCHEMBL19858086 0.72 LMNA (0.47) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL19858089 0.72 LMNA (0.47) LMNAALDH1A1MEN1KMT2ARECQL

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-102159535-A Potassium ion channel modulators and uses thereof UNIV RAMOT 2011-08-17 — — CN disclosed
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