SCHEMBL29194896

SCHEMBL29194896

COc1ccc2c(c1)CC(Br)CC2=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR2A P28223 3/20 0.48
HTR2C P28335 3/20 0.48
HTR2B P41595 1/20 0.48
CYP19A1 P11511 6/20 0.47
MAOB P27338 5/20 0.47
CYP3A4 P08684 1/20 0.47
ACHE P22303 1/20 0.46
DRD2 P14416 1/20 0.46
PRNP P04156 1/20 0.43

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
SCHEMBL1699503 0.82 ALDH1A1 (0.55) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL31619577 0.82 ALDH1A1 (0.55) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL4462617 0.79 METAP1 (0.58) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL3170281 0.78 METAP1 (0.48) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL344572 0.77 CYP19A1 (0.50) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL344573 0.77 CYP19A1 (0.50) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL9523559 0.77 MAOB (0.56) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL3171840 0.76 HTR2A (0.54) METAP1KDM4EALDH1A1HTR2AHTR2C
SCHEMBL1893563 0.75 GAA (0.52) KDM4EALDH1A1CYP19A1MAOBCYP3A4
SCHEMBL268592 0.74 KDM4E (0.56) METAP1KDM4EALDH1A1CYP19A1MAOB

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-117567321-A Preparation method of 7-methoxy naphthalene acetonitrile 湖南省湘中制药有限公司 2024-02-20 CN disclosed