SCHEMBL30168029

SCHEMBL30168029

C=C1C2CC2(c2cccc(OC)c2)C(=O)N1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
KDM1A O60341 1/20 0.41
NPY1R P25929 1/20 0.41
MGLL Q99685 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40

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
SCHEMBL30168030 0.84 MAPT (0.43) MAPTMEN1KMT2AMGLLALDH1A1
SCHEMBL28922137 0.84 CYP19A1 (0.40) MEN1KMT2AMGLLALDH1A1SMN1; SMN2
SCHEMBL30168036 0.82 ALDH1A1 (0.40) MAPTMEN1KMT2ABACE1BACE2
SCHEMBL28922113 0.75 MEN1 (0.45) MAPTMEN1KMT2AMGLLSIGMAR1
SCHEMBL11079440 0.75 CYP19A1 (0.55) MAPTMEN1KMT2ABACE1BACE2
SCHEMBL28922117 0.75 ALDH1A1 (0.43) MAPTMEN1KMT2AKDM1AALDH1A1
SCHEMBL28922120 0.75 CNR1 (0.45) MAPTMEN1KMT2AKDM1AMAPK1
SCHEMBL11463156 0.70 CYP19A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11075149 0.70 CYP19A1 (0.50) MEN1KMT2ABACE1KDM1ACRHBP
SCHEMBL30168035 0.67 ELANE (0.42) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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