SCHEMBL3345999

SCHEMBL3345999

O=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3cccc(S(=O)(=O)O)c23)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.65
▸ ALDH1A1 P00352 2/20 0.65
▸ CTRB1 P17538 1/20 0.64
▸ CYP1A2 P05177 4/20 0.62
▸ MPL P40238 7/20 0.56
▸ CTRC Q99895 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ HIF1A Q16665 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ PTPRA P18433 1/20 0.56
▸ PTPRB P23467 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ RAPGEF4 Q8WZA2 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ NSD2 O96028 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ IDE P14735 1/20 0.55
▸ DUSP3 P51452 1/20 0.55

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
SCHEMBL30049470 0.88 CTRB1 (0.73) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL5701120 0.88 CTRB1 (0.73) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL6763835 0.88 CTRB1 (0.73) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL3345918 0.87 CTRB1 (0.58) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL2118271 0.87 CTRB1 (0.71) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL10625282 0.87 CTRB1 (0.71) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL30960384 0.87 CTRB1 (0.71) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL9577795 0.87 CTRB1 (0.71) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL31511329 0.86 THRB (0.56) MAPK1ALDH1A1CTRB1CYP1A2MPL
SCHEMBL10621005 0.86 CYP1A2 (0.70) MAPK1ALDH1A1CTRB1CYP1A2MPL

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
WO-2010055371-A1 MEDICAMENT FOR INHIBITING THE SYNTHESIS OF LEUKOTRIENES PICHLER CHRISTIAN (AT) 2010-05-20 — — WO claimed
WO-2010055371-A1 MEDICAMENT FOR INHIBITING THE SYNTHESIS OF LEUKOTRIENES PICHLER CHRISTIAN (AT) 2010-05-20 — — WO disclosed
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