SCHEMBL29149347

SCHEMBL29149347

Cn1nccc1-c1ccc(Oc2ccc(F)c(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.39
SCN9A Q15858 12/20 0.39
SOS1 Q07889 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
AKT1 P31749 1/20 0.35
SCN1A P35498 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
HTR7 P34969 1/20 0.34

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
SCHEMBL31009348 1.00 DRD1 (0.39) DRD1SCN9ASOS1ALDH1A1HTT
SCHEMBL24749528 0.80 DRD1 (0.42) DRD1SCN9ASOS1ALDH1A1MAPT
SCHEMBL28999948 0.79 ATM (0.44) SCN9AALDH1A1MAPT
SCHEMBL29938948 0.79 SCN4A (0.42) SCN9ASOS1ALDH1A1HTTMAPT
SCHEMBL29149455 0.75 MAPT (0.50) SOS1ALDH1A1HTTMAPTKDM4E
SCHEMBL29938158 0.75 MAPT (0.50) SOS1ALDH1A1HTTMAPTKDM4E
SCHEMBL31009494 0.71 ALDH1A1 (0.47) SOS1ALDH1A1HTT
SCHEMBL6365979 0.70 ALDH1A1 (0.49) ALDH1A1MAPT
SCHEMBL30768319 0.69 SOS1 (0.42) SOS1ALDH1A1HTT
SCHEMBL22636731 0.68 GRM5 (0.41) SCN9AALDH1A1MAPTKDM4EAKT1

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-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed