SCHEMBL7580225

SCHEMBL7580225

NCCN1CCN(CC=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.62
ACE2 Q9BYF1 1/20 0.43
SIGMAR1 Q99720 1/20 0.37
KEAP1 Q14145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PRMT3 O60678 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT1 Q99873 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 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
SCHEMBL5149279 0.91 ALOX15 (0.50) ALOX15ACE2SIGMAR1KEAP1SMN1; SMN2
SCHEMBL3973592 0.86 KEAP1 (0.48) ALOX15ACE2SIGMAR1KEAP1SMN1; SMN2
SCHEMBL28374092 0.82
SCHEMBL19275286 0.80 ALOX15 (0.33) ALOX15ACE2
SCHEMBL179843 0.79 ALOX15 (1.00) ALOX15ACE2SIGMAR1KEAP1SMN1; SMN2
SCHEMBL242967 0.79
SCHEMBL3975418 0.79 ALOX15 (1.00) ALOX15ACE2SIGMAR1KEAP1SMN1; SMN2
SCHEMBL30285988 0.79 ALOX15 (0.52) ALOX15ACE2SIGMAR1
SCHEMBL4104385 0.77 SIGMAR1 (0.38) ALOX15ACE2SIGMAR1KEAP1SMN1; SMN2
SCHEMBL2561626 0.76 DRD2 (0.39) SIGMAR1GNAI3GNAO1GNAI1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3668504-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
EP-3668503-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE AbbVie Inc. (US) 2020-06-24 EP disclosed
WO-2019035899-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO disclosed
WO-2019035914-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC. (US) 2019-02-21 WO disclosed
EP-2994470-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS Principia Biopharma Inc. (US) 2016-03-16 EP disclosed
WO-2014182829-A1 QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR INHIBITORS PRINCIPIA BIOPHARMA INC. (US) 2014-11-13 WO disclosed
EP-1401863-B1 SOMATOSTATIN-DOPAMINE CHIMERIC ANALOGS SOD CONSEILS RECH APPLIC (FR) 2009-03-04 EP disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 WO disclosed