SCHEMBL9450697

SCHEMBL9450697

NC(=O)c1ccc(Br)cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
GLA P06280 1/20 0.62
DGAT1 O75907 1/20 0.60
MYC P01106 1/20 0.51
NR4A1 P22736 1/20 0.51
SORT1 Q99523 9/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GPR35 Q9HC97 1/20 0.46
PIM1 P11309 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CES2 O00748 1/20 0.45
GALR3 O60755 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL9450696 0.92 KDM4E (0.62) KDM4EGLADGAT1MYCNR4A1
SCHEMBL2344362 0.89 DGAT1 (0.67) KDM4EGLADGAT1MYCNR4A1
SCHEMBL618056 0.87 KDM4E (0.65) KDM4EGLAMYCNR4A1SORT1
SCHEMBL4441828 0.85 KDM4E (0.63) KDM4EGLAMYCNR4A1SORT1
SCHEMBL27850589 0.84 SORT1 (0.52) KDM4EGLADGAT1MYCNR4A1
SCHEMBL30016780 0.80 MAPT (0.70) KDM4EDGAT1POLBMAPTCASP1
SCHEMBL1719602 0.80 MAPT (0.70) KDM4EDGAT1POLBMAPTCASP1
SCHEMBL23092224 0.79 KDM4E (0.57) KDM4EGLAMYCNR4A1SORT1
SCHEMBL26740884 0.79 KDM4E (0.57) KDM4EGLAMYCNR4A1SORT1
SCHEMBL2853526 0.78 DGAT1 (0.59) KDM4EGLADGAT1PIM1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
EP-0482668-B1 HEAT SENSITIVE RECORDING MATERIAL KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1993-08-04 EP disclosed
US-5187143-A Thermographic mixture of basic leuco dye and color developer comprising a zinc salt of terephthaldehydic acid or a composite salt also containing an aromatic acid KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1993-02-16 US disclosed
EP-0482668-A1 Heat sensitive recording material KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1992-04-29 EP disclosed
US-4328339-A Continuous preparation of isatoic anhydride BASF AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
US-3984406-A FROM AN ALKALI METAL PHTHALAMATE AND A HYPOHALITE IN A HALOGEN CATALYST BASF AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed