SCHEMBL4647391

SCHEMBL4647391

O=C1C=C(N2CCOCC2)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 6/20 1.00
NPC1 O15118 5/20 1.00
TDP2 O95551 4/20 1.00
NSD2 O96028 4/20 1.00
KMT2A Q03164 4/20 1.00
HKDC1 Q2TB90 3/20 1.00
MEN1 O00255 3/20 1.00
RAB9A P51151 3/20 1.00
BLM P54132 2/20 1.00
GALK1 P51570 1/20 1.00
ATM Q13315 1/20 1.00
NOD2 Q9HC29 1/20 1.00
ATG4B Q9Y4P1 1/20 1.00
DNMT1 P26358 1/20 0.77
S100A4 P26447 2/20 0.61
MAPT P10636 10/20 0.54
HTT P42858 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 1/20 0.54
STAT3 P40763 1/20 0.54

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
SCHEMBL30601628 1.00 APAF1 (1.00) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL247037 0.88 KMT2A (0.79) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL7260223 0.83 APAF1 (1.00) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL4649553 0.80 DNMT1 (0.83) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL10037145 0.80 DNMT1 (0.77) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL10446509 0.77 TDP2 (0.73) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL14566962 0.76 KMT2A (0.61) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL9508287 0.76 MAPT (0.66) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL4649478 0.73 APAF1 (0.56) APAF1NPC1TDP2NSD2KMT2A
SCHEMBL4649480 0.73 APAF1 (0.56) APAF1NPC1TDP2NSD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11732286-B2 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-08-22 US disclosed
US-11732286-B2 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2023-08-22 US disclosed
US-20220170070-A1 T5 EXONUCLEASE-BASED METHOD TO IDENTIFY DNA TOPOISOMERASE INHIBITORS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-06-02 US disclosed
US-20220119858-A1 T5 EXONUCLEASE-BASED METHOD TO IDENTIFY DNA TOPOISOMERASE INHIBITORS THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-04-21 US disclosed
US-11268129-B1 T5 exonuclease-based method to identify DNA topoisomerase inhibitors THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUSTEES (US) 2022-03-08 US disclosed
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
EP-1961738-A1 New compounds with antiglutamatergic properties and uses thereof Faust Pharmaceuticals (FR) 2008-08-27 EP disclosed
WO-2008098751-A1 NEW COMPOUNDS WITH ANTIGLUTAMATERGIC PROPERTIES AND USES THEREOF FAUST PHARMACEUTICALS (FR) 2008-08-21 WO disclosed
EP-0994879-B1 PHOTOCHROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN POLYMERIC MATERIALS GREAT LAKES CHEMICAL EUROP (CH) 2003-09-24 EP disclosed
US-6414057-B1 STRESS RESISTANCE, DYEABLE GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 2002-07-02 US disclosed
EP-0994879-A1 PHOTOCHROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN POLYMERIC MATERIALS GREAT LAKES CHEMICAL (EUROPE) LTD. (CH) 2000-04-26 EP disclosed
US-5905148-A Photochromic spirooxazine polysiloxanes YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1999-05-18 US disclosed
WO-1999001457-A1 PHOTOCHROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN POLYMERIC MATERIALS GREAT LAKES CHEMICAL (EUROPE) GMBH (CH) 1999-01-14 WO disclosed
US-5552090-A Photochromic naphthopyran compounds PPG INDUSTRIES, INC. (US) 1996-09-03 US disclosed
EP-0245020-B1 PHOTOCHROMIC ARTICLES PILKINGTON PLC (GB) 1991-10-02 EP disclosed
US-4913544-A WINDOWS, OPTICAL GLASS PILKINGTON PLC (GB) 1990-04-03 US disclosed
EP-0245020-A2 Photochromic articles PILKINGTON PLC (GB) 1987-11-11 EP disclosed