SCHEMBL28893045

SCHEMBL28893045

COc1cc(F)c([N+](=O)[O-])cc1OCc1cccc2ccncc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN8A Q9UQD0 1/20 0.46
PTGES O14684 1/20 0.43
LMNA P02545 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
CYP19A1 P11511 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL30002055 1.00 SCN1A (0.46) SCN1ASCN5ASCN8APTGESLMNA
SCHEMBL28892812 0.86 CHEK1 (0.41) LMNACASP3SENP8SENP7SENP6
SCHEMBL28959518 0.85 LMNA (0.42) PTGESLMNACASP3SENP8SENP7
SCHEMBL28892628 0.85 GAA (0.40) PTGESLMNACASP3SENP8SENP7
SCHEMBL30003246 0.85 GAA (0.40) PTGESLMNACASP3SENP8SENP7
SCHEMBL28892367 0.83 KMT2A (0.41) SCN1ASCN5ASCN8ALMNACASP3
SCHEMBL30003178 0.83 LMNA (0.42) PTGESLMNACASP3SENP8SENP7
SCHEMBL30001950 0.82 ALDH1A1 (0.52) PTGESLMNAGAAPKMMAPT
SCHEMBL28892526 0.82 SCN1A (0.47) SCN1ASCN5ASCN8AGAAMAPT
SCHEMBL30002548 0.82 SCN1A (0.47) SCN1ASCN5ASCN8AGAAMAPT

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