SCHEMBL28441203

SCHEMBL28441203

CCOC(=O)c1cccc(NC(=O)c2ccc(Br)cc2)c1I

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.60
▸ KDM4E B2RXH2 3/20 0.60
▸ TSHR P16473 5/20 0.58
▸ POLB P06746 3/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ ALDH1A1 P00352 3/20 0.55
▸ HPGD P15428 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.54
▸ ELANE P08246 1/20 0.54
▸ PRTN3 P24158 1/20 0.54
▸ GAA P10253 2/20 0.53
▸ RECQL P46063 1/20 0.53
▸ MAPT P10636 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL10325817 0.88 KDM4E (0.76) LMNAKDM4ETSHRPOLBNPSR1
SCHEMBL9575455 0.77 KDM4E (0.80) LMNAKDM4ETSHRPOLBNPSR1
SCHEMBL31730773 0.77 KDM4E (0.80) LMNAKDM4ETSHRPOLBNPSR1
SCHEMBL28026288 0.76 KDM4E (0.66) LMNAKDM4ETSHRPOLBNPSR1
SCHEMBL14855680 0.75 KDM4E (0.76) LMNAKDM4ETSHRPOLBNPSR1
SCHEMBL14855798 0.74 SMN1; SMN2 (0.75) LMNAKDM4ETSHRPOLBNPSR1
SCHEMBL29028434 0.74 KDM4E (0.70) LMNAKDM4ETSHRPOLBNPSR1
SCHEMBL22445033 0.74 TSHR (0.74) LMNAKDM4ETSHRPOLBHSD17B10
SCHEMBL9183126 0.73 ELANE (0.74) LMNAKDM4ETSHRPOLBNPSR1
SCHEMBL11594005 0.73 KDM4E (0.58) LMNAKDM4ETSHRPOLBNPSR1

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-108947984-B Preparation method of pranlukast 烟台万润药业有限公司 2020-07-07 — — CN claimed
CN-108947984-B Preparation method of pranlukast 烟台万润药业有限公司 2020-07-07 — — CN disclosed
CN-108947984-B Preparation method of pranlukast 烟台万润药业有限公司 2020-07-07 — — CN disclosed
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