SCHEMBL3345918

SCHEMBL3345918

O=C(O)c1cccc2ccc(O)c(/N=N/c3ccc(S(=O)(=O)O)c4ccccc34)c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.58
▸ MAPK1 P28482 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP1A2 P05177 4/20 0.53
▸ MPL P40238 8/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ CTRC Q99895 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ PTPRA P18433 1/20 0.51
▸ PTPRB P23467 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RAPGEF4 Q8WZA2 1/20 0.51
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ NSD2 O96028 2/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL3345999 0.87 MAPK1 (0.65) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL30049470 0.83 CTRB1 (0.73) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL6763835 0.83 CTRB1 (0.73) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL5701120 0.83 CTRB1 (0.73) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL14580408 0.83 CYP1A2 (0.60) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL2118271 0.82 CTRB1 (0.71) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL9577795 0.82 CTRB1 (0.71) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL30960384 0.82 CTRB1 (0.71) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL10625282 0.82 CTRB1 (0.71) CTRB1MAPK1ALDH1A1CYP1A2MPL
SCHEMBL15113020 0.81 CTRB1 (0.70) CTRB1MAPK1ALDH1A1CYP1A2MPL

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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