SCHEMBL457121

SCHEMBL457121

COc1cc(-c2ccccc2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.56
CHEK1 O14757 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
KMO O15229 1/20 0.48
ESR2 Q92731 1/20 0.47
ACLY P53396 4/20 0.47
EGLN2 Q96KS0 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK10 P53779 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 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
SCHEMBL4302847 0.89 DYRK1A (0.65) DYRK1ACHEK1L3MBTL1MEN1KMT2A
SCHEMBL29148445 0.86 DYRK1A (0.57) DYRK1ACHEK1L3MBTL1KMOEGLN2
Chloroneb SCHEMBL4292226 0.85 MAPK10 (0.51) L3MBTL1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL29375895 0.84 ADORA2A (0.55) L3MBTL1MEN1KMT2AKMOESR2
SCHEMBL403698 0.84 ADORA2A (0.55) L3MBTL1MEN1KMT2AKMOESR2
SCHEMBL21586174 0.83 DYRK1A (0.51) DYRK1ACHEK1EGLN2CYP3A4
SCHEMBL21084582 0.82 DYRK1A (0.63) DYRK1ACHEK1KMOEGLN2ALDH1A1
SCHEMBL4533772 0.81 L3MBTL1 (0.62) L3MBTL1MEN1KMT2AALDH1A1TSHR
SCHEMBL21289787 0.80 L3MBTL1 (0.75) L3MBTL1MEN1KMT2AALDH1A1TDP1
SCHEMBL12945558 0.78 CHEK1 (0.49) DYRK1ACHEK1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110394190-B Nitrogen-rich triazine-based calix [4] arene polymer supported palladium catalyst, and preparation method and application thereof 上海应用技术大学 2022-04-01 CN disclosed
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed