SCHEMBL422324

SCHEMBL422324

COC(=O)C(Sc1nc2c(C(N)=O)cccc2[nH]1)c1ccc(OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 0.58
PLA2G2A P14555 1/20 0.58
ALOX15 P16050 1/20 0.58
PTGS2 P35354 1/20 0.58
CHEK2 O96017 1/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44

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
SCHEMBL6842016 0.78 PARP1 (0.61) PARP1PLA2G2AALOX15PTGS2
SCHEMBL6841345 0.75 PARP1 (0.64) PARP1PLA2G2AALOX15PTGS2CHEK2
SCHEMBL7319077 0.74 PARP1 (1.00) PARP1PLA2G2AALOX15PTGS2CHEK2
SCHEMBL6842031 0.73 PARP1 (0.66) PARP1PLA2G2AALOX15PTGS2CHEK2
SCHEMBL27824103 0.72 PARP1 (0.60) PARP1PLA2G2AALOX15PTGS2CHEK2
SCHEMBL6406539 0.72 LMNA (0.61)
SCHEMBL8620143 0.71 PARP1 (0.65) PARP1PLA2G2AALOX15PTGS2CHEK2
SCHEMBL6841346 0.71 PARP1 (0.61) PARP1PLA2G2AALOX15PTGS2CHEK2
SCHEMBL6836770 0.69 RAB9A (0.59) PARP1PLA2G2AALOX15PTGS2PKN1
SCHEMBL6842032 0.68 PARP1 (0.60) PARP1PLA2G2AALOX15PTGS2CHEK2

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
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-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