SCHEMBL20169340

SCHEMBL20169340

Cc1nc(O)ccc1-c1ccc(-c2nc(C(F)(F)F)cn2COCCS(C)(C)C)cn1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.50
PTGS2 P35354 6/20 0.35
PTGS1 P23219 3/20 0.35
USP1 O94782 1/20 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
SCHEMBL20169312 0.89 DGAT1 (0.53) DGAT1PTGS2PTGS1
SCHEMBL15293775 0.88 DGAT1 (0.66) DGAT1USP1
SCHEMBL20169384 0.86 DGAT1 (0.49) DGAT1PTGS2PTGS1
SCHEMBL20169313 0.86 DGAT1 (0.54) DGAT1PTGS2PTGS1
SCHEMBL20169314 0.86 DGAT1 (0.49) DGAT1PTGS2PTGS1
SCHEMBL20169389 0.83 DGAT1 (0.47) DGAT1PTGS2PTGS1
SCHEMBL20169333 0.80 DGAT1 (0.74) DGAT1PTGS2PTGS1
SCHEMBL20169329 0.77 DGAT1 (0.55) DGAT1
SCHEMBL20169318 0.77 DGAT1 (0.52) DGAT1PTGS2PTGS1USP1
SCHEMBL10176678 0.77 DGAT1 (0.47) DGAT1PTGS2PTGS1USP1

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-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed