SCHEMBL30844922

SCHEMBL30844922

[SiH3]C=CC(c1cccnc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.48
GOPC Q9HD26 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
CYP19A1 P11511 2/20 0.43
KCNA5 P22460 3/20 0.40
KCNN4 O15554 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
CYP17A1 P05093 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL8466217 0.75 CFTR (0.52) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL2524123 0.73 DPP4 (0.38) CYP19A1KDM4ETSHRCYP1A2CYP3A4
SCHEMBL30845028 0.72 CFTR (0.58) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL3887188 0.71 CFTR (0.62) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL28307922 0.71 CFTR (0.57) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL360712 0.71 CFTR (0.57) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL30440878 0.69 SLC6A2 (0.46) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL1515348 0.68
SCHEMBL6631666 0.68
SCHEMBL16781718 0.67 CFTR (0.58) CFTRGOPCSLC6A2SLC6A4SLC6A3

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-117836995-A Nonaqueous electrolyte and nonaqueous electrolyte secondary battery 信越化学工业株式会社 2024-04-05 CN disclosed