SCHEMBL17057858

SCHEMBL17057858

CC1(COc2c(N3CCN(S(=O)(=O)Cc4ccc5c(c4)NC(N)O5)CC3)cnn(-c3cc(F)cc(F)c3)c2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NCOA3 Q9Y6Q9 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
SCHEMBL11946281 0.86 HTR1A (0.40) POLB
SCHEMBL11946282 0.86 MMP13 (0.35) MAPTMMP13POLBCYP3A4CYP2C19
SCHEMBL11945630 0.85 MAPT (0.37) MAPTMMP13POLBCYP3A4CYP2C19
SCHEMBL11944396 0.85 MAPT (0.38) MAPTMMP13POLBCYP3A4CYP2C19
SCHEMBL11946252 0.84 MAPT (0.37) MAPTMMP13POLBCYP3A4CYP2C19
SCHEMBL11945640 0.84 MAPT (0.40) MAPTMMP13POLBCYP3A4CYP2C19
SCHEMBL11946268 0.84 MAPT (0.38) MAPTMMP13POLBCYP3A4CYP2C19
SCHEMBL11946195 0.83 MAPT (0.38) MAPTMMP13POLBCYP3A4CYP2C19
SCHEMBL11945290 0.83 MAPT (0.38) MAPTMMP13POLBCYP3A4CYP2C19
SCHEMBL11946285 0.83 MAPT (0.32) MAPTMMP13POLBCYP3A4CYP2C19

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
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 — — EP disclosed
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