SCHEMBL425427

SCHEMBL425427

Cn1cccc1/C=C1/C(=O)NC(=O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 1.00
PARP2 Q9UGN5 1/20 1.00
KDR P35968 1/20 0.76
MAPT P10636 13/20 0.55
KMT2A Q03164 11/20 0.55
MEN1 O00255 10/20 0.55
RECQL P46063 6/20 0.55
ALDH1A1 P00352 5/20 0.55
CYP1A2 P05177 1/20 0.53
BLM P54132 2/20 0.51
GPR55 Q9Y2T6 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
TDP1 Q9NUW8 3/20 0.48
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
NPC1 O15118 3/20 0.48
PKM P14618 2/20 0.48
NFKB1 P19838 2/20 0.48

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
SCHEMBL22022391 1.00 PARP1 (1.00) PARP1PARP2KDRMAPTKMT2A
SCHEMBL425429 1.00 PARP1 (1.00) PARP1PARP2KDRMAPTKMT2A
SCHEMBL29369680 1.00 PARP1 (1.00) PARP1PARP2KDRMAPTKMT2A
SCHEMBL21466 0.87 KDR (1.00) PARP1PARP2KDRMAPTKMT2A
SCHEMBL21465 0.87 KDR (1.00) PARP1PARP2KDRMAPTKMT2A
SCHEMBL10095157 0.81 PARP1 (0.68) PARP1PARP2KDRMAPTKMT2A
SCHEMBL7153991 0.77 PARP1 (0.63) PARP1PARP2KDRMAPTKMT2A
SCHEMBL7153987 0.77 PARP1 (0.63) PARP1PARP2KDRMAPTKMT2A
SCHEMBL7153983 0.77 PARP1 (0.63) PARP1PARP2KDRMAPTKMT2A
SCHEMBL5727591 0.76 KDR (0.71) PARP1PARP2KDRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180195046-A1 INDUCED EXTENDED PLURIPOTENT STEM CELLS, METHOD OF MAKING AND USING PEKING UNIVERSITY (CN) 2018-07-12 US claimed
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
EP-3334820-B1 INDUCED EXTENDED PLURIPOTENT STEM CELLS, METHODS OF MAKING AND USING BEIHAO STEM CELL AND REGENERATIVE MEDICINE RES INSTITUTE CO LTD (CN) 2024-05-15 EP disclosed
US-20240105279-A1 METHODS AND SYSTEMS EMPLOYING TARGETED NEXT GENERATION SEQUENCING FOR CLASSIFYING A TUMOR SAMPLE AS HAVING A LEVEL OF HOMOLOGOUS RECOMBINATION DEFICIENCY SIMILAR TO THAT ASSOCIATED WITH MUTATIONS IN BRCA1 OR BRCA2 GENES Genomic Testing Cooperative, LCA (US) 2024-03-28 US disclosed
US-11028369-B2 Induced extended pluripotent stem cells, method of making and using BEIHAO STEM CELL AND REGENERATIVE MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2021-06-08 US disclosed
US-20180195046-A1 INDUCED EXTENDED PLURIPOTENT STEM CELLS, METHOD OF MAKING AND USING PEKING UNIVERSITY (CN) 2018-07-12 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