SCHEMBL7808015

SCHEMBL7808015

[C-]#[N+]C(O[Si](C)(C)C(C)(C)C)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.40
GOPC Q9HD26 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP17A1 P05093 1/20 0.34
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6283862 0.79 CFTR (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23354817 0.76 CFTR (0.38) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL6491522 0.76 CYP19A1 (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL8873323 0.75 SMN1; SMN2 (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL8643958 0.73 SMN1; SMN2 (0.40) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL21143806 0.72 CYP19A1 (0.37) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23354868 0.72 CNR1 (0.41) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL2559305 0.70 CFTR (0.52) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL24933822 0.70 SMN1; SMN2 (0.42) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL23354901 0.69 ALDH1A1 (0.42) SMN1; SMN2KDM4EGAALMNAL3MBTL1

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
US-6881736-B1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2005-04-19 US disclosed