SCHEMBL28240607

SCHEMBL28240607

COc1ccccc1C(=O)OC1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HTR2C P28335 2/20 0.50
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
ATM Q13315 1/20 0.47
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
CDK2 P24941 1/20 0.46
CHRM3 P20309 1/20 0.46
BRPF1 P55201 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
HRH1 P35367 1/20 0.45
PIN1 Q13526 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44

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
Methylene Chloride SCHEMBL29003874 0.94 MEN1 (0.54) MEN1KMT2AHTR2CSCN1ASCN2A
SCHEMBL9543892 0.89 KMT2A (0.66) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL22621474 0.86 MEN1 (0.71) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL27499034 0.86 MEN1 (0.71) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL13377166 0.84 MEN1 (0.69) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL29003856 0.84 SLC6A2 (0.53) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL28315283 0.83 SCN1A (0.45) MEN1KMT2AHTR2CSCN1ASCN2A
SCHEMBL28239732 0.81 RXFP1 (0.50) SCN1ASCN2ASCN3ACHRM3ALDH1A1
SCHEMBL16296005 0.81 DDB1 (0.55) ALDH1A1HRH1
SCHEMBL28011429 0.81 SCN1A (0.52) MEN1KMT2ASCN1ASCN2ASCN3A

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-108456204-B Benzothiazine derivative, and preparation method and application thereof 四川大学 2023-05-26 CN disclosed
CN-108456204-A Benzothiazine derivative and its preparation method and application 四川大学 2018-08-28 CN disclosed