SCHEMBL3346557

SCHEMBL3346557

O=S(=O)(O)c1ccc(/N=N/c2c(O)cc(S(=O)(=O)O)c3ccccc23)c2ccccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.76
▸ MMP14 P50281 1/20 0.76
▸ CASP6 P55212 1/20 0.76
▸ MPL P40238 13/20 0.74
▸ CTRC Q99895 2/20 0.72
▸ CYP1A2 P05177 2/20 0.62
▸ CTRB1 P17538 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ PRMT1 Q99873 1/20 0.57
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ CYP2C19 P33261 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
SCHEMBL3345861 0.87 MPL (0.61) NSD2MMP14CASP6MPLCTRC
SCHEMBL10896468 0.87 NSD2 (0.78) NSD2MMP14CASP6MPLCTRC
SCHEMBL10874811 0.86 NSD2 (1.00) NSD2MMP14CASP6MPLCTRC
SCHEMBL16853116 0.86 NSD2 (1.00) NSD2MMP14CASP6MPLCTRC
SCHEMBL4596966 0.84 MPL (1.00) NSD2MMP14CASP6MPLCTRC
SCHEMBL4596970 0.84 MPL (1.00) NSD2MMP14CASP6MPLCTRC
SCHEMBL30049470 0.83 CTRB1 (0.73) NSD2MMP14CASP6MPLCTRC
SCHEMBL5701120 0.83 CTRB1 (0.73) NSD2MMP14CASP6MPLCTRC
SCHEMBL6763835 0.83 CTRB1 (0.73) NSD2MMP14CASP6MPLCTRC
SCHEMBL28551711 0.83 CYP1A2 (0.70) NSD2MMP14CASP6MPLCTRC

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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