SCHEMBL17757093

SCHEMBL17757093

Nc1ccc(CNC2=Nc3ccccc3NC23CCSCC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ ESR1 P03372 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
SCHEMBL17757363 0.91 LMNA (0.32) LMNA
SCHEMBL17757846 0.91 LMNA (0.39) HTTLMNA
SCHEMBL17757080 0.90 ACAT2 (0.38) HTTLMNA
SCHEMBL17758067 0.89 LMNA (0.32) LMNA
SCHEMBL17758070 0.89 KDM4E (0.36) LMNA
SCHEMBL17757372 0.89 KDM4E (0.34) LMNA
SCHEMBL17758054 0.89 KCNH3 (0.34) LMNA
SCHEMBL17757109 0.88 ACAT2 (0.36) ELANEHTTESR1
SCHEMBL17992081 0.88 NPC1 (0.36) LMNA
SCHEMBL17757092 0.88 ELANE (0.36) ELANELMNA

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
WO-2016075137-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2016-05-19 — — WO disclosed
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