Sugi Predict

Sugi Predict / Compounds / SCHEMBL17207013

SCHEMBL17207013

SCHEMBL17207013

Cc1cc(NCCO[Si](C)(C)C(C)(C)C)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(OC(F)(F)F)c1)NC2=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTH1R Q03431 8/20 0.49
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ SCN9A Q15858 3/20 0.32
▸ PIM1 P11309 4/20 0.32

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
SCHEMBL16358568 0.93 PTH1R (0.45) PTH1R
SCHEMBL16358565 0.90 PTH1R (0.51) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL849516 0.89 PTH1R (0.52) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL13555104 0.88 PTH1R (0.55) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL16087609 0.87 PTH1R (0.53) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL848933 0.86 PTH1R (0.56) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL849454 0.86 PTH1R (0.53) PTH1RMMP2MMP3SLC6A9SCN9A
SCHEMBL13553347 0.84 PTH1R (0.51) PTH1RMMP2MMP3SLC6A9
SCHEMBL13555130 0.84 PTH1R (0.52) PTH1RPIM1
SCHEMBL850130 0.83 PTH1R (0.52) PTH1RMMP2MMP3SLC6A9PIM1

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
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 — — US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 — — US disclosed