SCHEMBL30168030

SCHEMBL30168030

C=C1C2CC2(c2ccc(Cl)cc2)C(=O)N1c1cccc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 6/20 0.42
MGLL Q99685 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.39
SCN9A Q15858 1/20 0.39
NR1H3 Q13133 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
BCL2A1 Q16548 1/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 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
SCHEMBL28922113 0.87 MEN1 (0.45) MAPTALDH1A1MGLLKDM4ESCN9A
SCHEMBL30168029 0.84 MAPT (0.50) MAPTALDH1A1MGLLSMN1; SMN2KMT2A
SCHEMBL28922117 0.83 ALDH1A1 (0.43) MAPTCASP1CASP7HSD17B10ALDH1A1
SCHEMBL30168035 0.80 ELANE (0.42) MAPTHSD17B10ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28922133 0.76 ELANE (0.38) MAPTALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL30168036 0.75 ALDH1A1 (0.40) MAPTCASP1CASP7HSD17B10ALDH1A1
SCHEMBL28922114 0.74 CYP19A1 (0.40) ALDH1A1SMN1; SMN2SCN9A
SCHEMBL28922137 0.74 CYP19A1 (0.40) HSD17B10ALDH1A1MGLLSMN1; SMN2KDM4E
SCHEMBL28922120 0.71 CNR1 (0.45) MAPTKMT2AMEN1
SCHEMBL11079440 0.66 CYP19A1 (0.55) MAPTSMN1; SMN2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536573-B Method for synthesizing azabicyclo [3.1.0] hexane-2-ketone compound 河南师范大学 2024-01-30 CN disclosed
CN-115536573-A Method for synthesizing azabicyclo [3.1.0] hexane-2-ketone compound 河南师范大学 2022-12-30 CN disclosed