SCHEMBL9018039

SCHEMBL9018039

COC(=O)Oc1ccc(N)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
BRCA1 P38398 1/20 0.44
HBB P68871 1/20 0.44
NNMT P40261 2/20 0.42
POLB P06746 3/20 0.41
RAB9A P51151 2/20 0.41
KEAP1 Q14145 1/20 0.41
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
PABPC1 P11940 1/20 0.38
MAPT P10636 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
ACACB O00763 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL22557537 0.81 KDM4E (0.44) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL3362074 0.81 ACACB (0.39) KDM4EPOLBRAB9AACACB
SCHEMBL22557367 0.81 KDM4E (0.41) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8096967 0.80 ACACB (0.42) KMT2AMEN1NNMTACACBLMNA
SCHEMBL22557500 0.79 KDM4E (0.44) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL249721 0.79 KDM4E (0.44) KDM4EKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL8459579 0.79 PTK2 (0.50) KDM4EKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3985855 0.79 KDM4E (0.46) KDM4EALDH1A1HSD17B10NNMTRAB9A
SCHEMBL3362077 0.78 ACACB (0.37) ACACB
SCHEMBL27589085 0.77 KDM4E (0.41) KDM4EKMT2AMEN1ALDH1A1HSD17B10

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
EP-3197891-B1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES Bayer Pharma AG (DE) 2018-11-21 EP disclosed
EP-3197891-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2017-08-02 EP disclosed
WO-2016046157-A1 FACTOR XIA-INHIBITING PYRIDOBENZAZEPINE AND PYRIDOBENZAZOCINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-03-31 WO disclosed
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed