SCHEMBL17058542

SCHEMBL17058542

CC1(COc2c(N3CCN(SCc4ccc(Nc5ccncc5N)cc4)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ DCTPP1 Q9H773 3/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PPARG P37231 2/20 0.31
▸ NCOA2 Q15596 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ NR2E3 Q9Y5X4 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ GAA P10253 1/20 0.30
▸ SLC2A1 P11166 2/20 0.30
▸ SLC2A3 P11169 2/20 0.30

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
SCHEMBL17058560 0.83 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058476 0.82 PPARG (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058472 0.82 NPSR1 (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058147 0.81 SMN1; SMN2 (0.39) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058352 0.79 NPSR1 (0.40) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058536 0.78 ALDH1A1 (0.43) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058272 0.77 NPSR1 (0.36) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058181 0.76 ALDH1A1 (0.43) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058280 0.76 NPSR1 (0.39) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058232 0.76 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2AMAPT

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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