SCHEMBL3345861

SCHEMBL3345861

O=C(O)c1cc(O)c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 13/20 0.61
▸ NSD2 O96028 2/20 0.59
▸ MMP14 P50281 1/20 0.59
▸ CASP6 P55212 1/20 0.59
▸ CTRC Q99895 2/20 0.57
▸ CYP1A2 P05177 2/20 0.54
▸ CTRB1 P17538 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ PRMT1 Q99873 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ IDE P14735 1/20 0.46
▸ DUSP3 P51452 1/20 0.46
▸ CCR6 P51684 1/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL3346557 0.87 NSD2 (0.76) MPLNSD2MMP14CASP6CTRC
SCHEMBL3346242 0.82 CYP1A2 (0.73) MPLNSD2MMP14CASP6CTRC
SCHEMBL3345918 0.79 CTRB1 (0.58) MPLNSD2MMP14CASP6CTRC
SCHEMBL3347554 0.79 KMT2A (0.57) MPLNSD2MMP14CASP6CTRC
SCHEMBL14580408 0.78 CYP1A2 (0.60) MPLNSD2MMP14CASP6CTRC
SCHEMBL5701120 0.77 CTRB1 (0.73) MPLNSD2MMP14CASP6CTRC
SCHEMBL30049470 0.77 CTRB1 (0.73) MPLNSD2MMP14CASP6CTRC
SCHEMBL6763835 0.77 CTRB1 (0.73) MPLNSD2MMP14CASP6CTRC
SCHEMBL28551711 0.77 CYP1A2 (0.70) MPLNSD2MMP14CASP6CTRC
SCHEMBL15115349 0.77 CYP1A2 (0.70) MPLNSD2MMP14CASP6CTRC

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
Send feedback