SCHEMBL8439142

SCHEMBL8439142

CNc1cc(Br)c(O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ HSD17B10 Q99714 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ ALOX15 P16050 2/20 0.46
▸ ALOX12 P18054 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TTR P02766 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
Phosphonic Acid SCHEMBL5935327 0.89 TSHR (0.41) TSHRCYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL10554859 0.78 CYP3A4 (0.55) TSHRCYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL13145946 0.73 ALOX15 (0.50) CYP3A4HSD17B10ALDH1A1HIF1AALOX15
SCHEMBL5511479 0.72 SELL (0.48) TSHRCYP3A4TDP1HSD17B10ALDH1A1
Propane SCHEMBL28284698 0.72 TSHR (0.42) TSHRCYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL3115237 0.72 LMNA (0.59) TSHRCYP3A4TDP1HSD17B10ALDH1A1
SCHEMBL26940683 0.70 CA1 (0.52) CYP3A4HSD17B10ALDH1A1HIF1AALOX15
SCHEMBL8435639 0.70 TTR (0.52) TSHRCYP3A4HSD17B10ALDH1A1HIF1A
SCHEMBL10965241 0.70 ALDH1A1 (0.34) TSHRCYP3A4HSD17B10ALDH1A1HIF1A
SCHEMBL2258347 0.70 CA2 (0.48) TSHRHSD17B10ALOX15ALOX12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5858695-A SUBJECTING BILIRUBIN TO COEXIST WITH ASCORBATE OXIDASE AND A REACTION PROMOTER IN AQUEOUS MEDIUM TO THEREBY OXIDIZE THE BILIRUBIN, MEASURING THE CHANGE IN ABSORBANCE KYOWA MEDEX CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0770688-A1 Method of quantitative determination of bilirubin and a reagent therefor KYOWA MEDEX CO., LTD. (JP) 1997-05-02 — — EP disclosed
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