Sugi Predict

Sugi Predict / Compounds / SCHEMBL8071700

SCHEMBL8071700

SCHEMBL8071700

Cc1cc(-c2nnn(C[C@H]3CC[C@H](C(=O)O)CC3)n2)cc(C(=O)NCc2ccc(F)c(Cl)c2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 20/20 1.00
▸ SLC22A8 Q8TCC7 1/20 0.81

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
SCHEMBL8069499 0.93 MMP13 (0.87) MMP13SLC22A8
SCHEMBL3646041 0.93 MMP13 (1.00) MMP13SLC22A8
SCHEMBL3688231 0.93 MMP13 (1.00) MMP13SLC22A8
SCHEMBL3811750 0.92 MMP13 (0.86) MMP13SLC22A8
SCHEMBL3811752 0.92 MMP13 (0.86) MMP13SLC22A8
SCHEMBL8067584 0.92 MMP13 (0.88) MMP13SLC22A8
SCHEMBL3699089 0.92 MMP13 (1.00) MMP13SLC22A8
SCHEMBL3803472 0.92 MMP13 (0.88) MMP13SLC22A8
SCHEMBL3644461 0.92 MMP13 (1.00) MMP13SLC22A8
SCHEMBL3803475 0.92 MMP13 (0.88) MMP13SLC22A8

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
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 — — WO disclosed