SCHEMBL30003178

SCHEMBL30003178

COc1cc(F)c([N+](=O)[O-])cc1OCc1cccc2ccnc(OC)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GAA P10253 5/20 0.40
PKM P14618 1/20 0.40
PTGES O14684 2/20 0.40
ALDH1A1 P00352 8/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.37
CHEK1 O14757 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL28892568 1.00 LMNA (0.42) LMNACASP3SENP8SENP7SENP6
SCHEMBL28892906 0.90 LMNA (0.41) LMNACASP3SENP8SENP7SENP6
SCHEMBL28892294 0.83 ALDH1A1 (0.52) LMNAGAAPKMPTGESALDH1A1
SCHEMBL30001950 0.83 ALDH1A1 (0.52) LMNAGAAPKMPTGESALDH1A1
SCHEMBL30002446 0.83 GAA (0.40) GAAMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL28892136 0.83 GAA (0.40) GAAMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL28893045 0.83 SCN1A (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL30002055 0.83 SCN1A (0.46) LMNACASP3SENP8SENP7SENP6
SCHEMBL30002570 0.80 MEN1 (0.52) LMNAGAAPKMPTGESALDH1A1
SCHEMBL28892476 0.80 MEN1 (0.52) LMNAGAAPKMPTGESALDH1A1

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-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed