SCHEMBL17058569

SCHEMBL17058569

CC1(COc2c(N3CCN([S+]([O-])Cc4ccc([N+](=O)[O-])c(CN)c4)CC3)cnn(-c3ccccc3)c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LIN28A Q9H9Z2 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 4/20 0.32
▸ DCTPP1 Q9H773 4/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ HTT P42858 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ GAA P10253 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
SCHEMBL17057981 0.94 DCTPP1 (0.33) LIN28ASMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058227 0.91 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058457 0.89 SMN1; SMN2 (0.34) LIN28ASMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058483 0.84 SMN1; SMN2 (0.35) LIN28ASMN1; SMN2LMNAPOLBKMT2A
SCHEMBL17058454 0.83 SMN1; SMN2 (0.35) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058442 0.83 DCTPP1 (0.39) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058477 0.83 SMN1; SMN2 (0.36) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058443 0.82 DCTPP1 (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058565 0.82 DCTPP1 (0.37) SMN1; SMN2LMNAPOLBKMT2AMAPT
SCHEMBL17058196 0.82 ALDH1A1 (0.41) LIN28ASMN1; SMN2LMNAPOLBKMT2A

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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