SCHEMBL423379

SCHEMBL423379

Cc1cc2c(N)cccc2c(=O)[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 16/20 1.00
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 2/20 0.50
RECQL P46063 1/20 0.50
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL15775454 0.77 PARP1 (1.00) PARP1TDP1RECQLALDH1A1
SCHEMBL15775367 0.77 PARP1 (1.00) PARP1HPGD
SCHEMBL1353956 0.75 PARP1 (0.59) PARP1KDM4EGAATDP1ALDH1A1
SCHEMBL15775666 0.74 PARP1 (1.00) PARP1KDM4ETDP1RECQLHPGD
SCHEMBL31386966 0.73 PARP1 (0.57) PARP1KDM4EGAAALDH1A1HSD17B10
SCHEMBL1720543 0.72 PARP1 (0.56) PARP1
SCHEMBL15775671 0.72 PARP1 (1.00) PARP1
SCHEMBL15791062 0.71 PARP1 (0.77) PARP1
SCHEMBL824574 0.71 KDM4E (1.00) PARP1KDM4EGAARECQLALDH1A1
SCHEMBL29488099 0.71 KDM4E (1.00) PARP1KDM4EGAARECQLALDH1A1

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 10 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
WO-2010082813-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
WO-2010082813-A1 METHOD OF TREATING CANCER ACADEMISCH MEDISCH CENTRUM BIJ DE UNIVERSITEIT VAN AMSTERDAM (NL) 2010-07-22 WO disclosed