SCHEMBL17757357

SCHEMBL17757357

CNc1ccc(CNC2=Nc3ccccc3NC23CCSCC3)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HTT P42858 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
SCHEMBL17757080 0.90 ACAT2 (0.38) LMNANPC1RAB9AHTT
SCHEMBL17757117 0.89 ACAT2 (0.37) KDM4ENPC1GAAMAPTMAPK1
SCHEMBL17757846 0.89 LMNA (0.39) LMNAKDM4ENPC1GAAMAPT
SCHEMBL17757089 0.89 ROCK2 (0.33) LMNA
SCHEMBL17992087 0.88 LMNA (0.33) LMNA
SCHEMBL17757737 0.88 ACAT2 (0.33) KDM4ENPC1GAAMAPTMAPK1
SCHEMBL17757540 0.87 GAA (0.34) LMNAKDM4ENPC1GAAMAPT
SCHEMBL19523219 0.87 PTPN1 (0.45) LMNAKDM4ENPC1GAAMAPT
SCHEMBL17758070 0.87 KDM4E (0.36) LMNAKDM4ENPC1GAAMAPT
SCHEMBL17757372 0.87 KDM4E (0.34) LMNAKDM4EMAPTRAB9A

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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