SCHEMBL13145946

SCHEMBL13145946

CNc1ccc(O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.50
▸ ALOX12 P18054 1/20 0.41
▸ ABCB1 P08183 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ SNCA P37840 2/20 0.38
▸ APP P05067 3/20 0.38

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
SCHEMBL3973928 0.84 ALOX15 (0.43) ALOX15ALOX12HSD17B10CA12CA1
SCHEMBL84733 0.78 ARG1 (0.48) ALOX15ALOX12HSD17B10CA1CA2
SCHEMBL29661835 0.78 CA12 (0.38) ALOX15HSD17B10CA12CA1CA2
SCHEMBL11742333 0.78 CA12 (0.38) ALOX15HSD17B10CA12CA1CA2
SCHEMBL3720647 0.77 ALOX15 (0.45) ALOX15ALOX12ABCB1JAK3ABCG2
Hydrochloric Acid SCHEMBL27786790 0.76 ARG1 (0.47) ALOX15ALOX12HSD17B10CA1CA2
Bromide SCHEMBL28351801 0.76 ARG1 (0.47) ALOX15ALOX12HSD17B10CA1CA2
Propane SCHEMBL28549044 0.75 ALOX15 (0.43) ALOX15ALOX12ABCB1JAK3ABCG2
SCHEMBL693623 0.75 PKM (0.54) HSD17B10CA12CA1CA2ALDH1A1
SCHEMBL8350047 0.74 TP53 (0.52) ALOX15ALOX12HSD17B10ALDH1A1TP53

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
WO-2010122105-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-10-28 — — WO disclosed
EP-2243768-A1 Phenolic diazonium salt, method for its production and its application Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2010-10-27 — — EP disclosed
CN-1155583-A Method of determining amount of bilirubin KYOWA MEDEX CO LTD (JP) 1997-07-30 — — CN disclosed
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