SCHEMBL423947

SCHEMBL423947

Cc1[nH]cnc1C1CCN(c2nc3cccc4c3n2CCC4=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 18/20 0.45
SLC9A2 Q9UBY0 1/20 0.38
PARP1 P09874 1/20 0.36

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
SCHEMBL6139709 0.87 PARP1 (0.54) SLC9A1PARP1
SCHEMBL7257136 0.80 OPRM1 (0.37) PARP1
SCHEMBL6633308 0.77 HRH1 (0.43) PARP1
SCHEMBL7262852 0.76 MAPK1 (0.33) PARP1
SCHEMBL7257413 0.75 PARP1 (0.36) PARP1
SCHEMBL7257145 0.75 KCNH2 (0.37) PARP1
SCHEMBL7395953 0.75 SLC9A1 (0.41) SLC9A1SLC9A2
SCHEMBL6630805 0.75 PARP1 (0.43) PARP1
SCHEMBL6508880 0.75 CCR4 (0.39) PARP1
SCHEMBL7257079 0.74 DRD2 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US claimed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 EP claimed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 US claimed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO claimed
US-20220110882-A1 SYNTHETICALLY LETHAL NANOPARTICLES FOR TREATMENT OF CANCERS UNIV IOWA RES FOUND (US) 2022-04-14 US disclosed
US-20120022026-A1 METHOD OF TREATING CANCER ERASMUS UNIVERSITY MEDICAL CENTER ROTTERDAM (NL) 2012-01-26 US disclosed
EP-2387403-A1 METHOD OF TREATING CANCER Academisch Medisch Centrum bij de Universiteit van Amsterdam (NL) 2011-11-23 EP disclosed
US-20110253692-A1 Electrical heater for vehicle windshields and windows SCHAUBLE RICHARD EGON 2011-10-20 US disclosed
WO-2010082821-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO disclosed