SCHEMBL17058457

SCHEMBL17058457

CC1(COc2c(N3CCN([S+]([O-])Cc4cc(N)ccc4[N+](=O)[O-])CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LIN28A Q9H9Z2 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 5/20 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
▸ HTT P42858 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ PTPN11 Q06124 1/20 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
SCHEMBL17058535 0.89 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058191 0.89 SMN1; SMN2 (0.36) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058569 0.89 LIN28A (0.34) SMN1; SMN2LMNAPOLBKMT2ALIN28A
SCHEMBL17058483 0.88 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2ALIN28A
SCHEMBL17057817 0.86 SMN1; SMN2 (0.38) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058438 0.84 SMN1; SMN2 (0.36) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058224 0.83 DCTPP1 (0.40) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17057981 0.83 DCTPP1 (0.33) SMN1; SMN2LMNAPOLBKMT2ALIN28A
SCHEMBL17058477 0.83 SMN1; SMN2 (0.36) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058487 0.83 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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