SCHEMBL17058529

SCHEMBL17058529

CC1(COc2c(N3CCN([S+]([O-])Cc4ccc5c(c4)OCN5)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ DCTPP1 Q9H773 4/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NR2E3 Q9Y5X4 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ GAA P10253 1/20 0.31

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
SCHEMBL17058227 0.83 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058454 0.83 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058442 0.83 DCTPP1 (0.39) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058056 0.83 SMN1; SMN2 (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058556 0.83 SMN1; SMN2 (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058443 0.82 DCTPP1 (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058565 0.82 DCTPP1 (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058196 0.81 ALDH1A1 (0.41) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058551 0.81 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058569 0.80 LIN28A (0.34) 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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