SCHEMBL3349622

SCHEMBL3349622

O=S(=O)(O)c1cc2ccccc2c(/N=N/c2ccc(S(=O)(=O)O)c3ccccc23)c1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.82
MEN1 O00255 1/20 0.82
KMT2A Q03164 1/20 0.82
TDP1 Q9NUW8 1/20 0.82
CTRB1 P17538 1/20 0.69
CYP1A2 P05177 5/20 0.67
ALDH1A1 P00352 4/20 0.67
HIF1A Q16665 3/20 0.67
MPL P40238 7/20 0.59
CTRC Q99895 2/20 0.58
CYP2C9 P11712 2/20 0.52
MAPK1 P28482 2/20 0.52
DNASE1L3 Q13609 1/20 0.52
NSD2 O96028 1/20 0.51
MMP14 P50281 1/20 0.51
CASP6 P55212 1/20 0.51
ATIC P31939 1/20 0.51
TSHR P16473 1/20 0.50
PTPRA P18433 1/20 0.50
PTPRB P23467 1/20 0.50

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
Amaranth SCHEMBL108344 0.90 THRB (1.00) THRBMEN1KMT2ATDP1CTRB1
Amaranth SCHEMBL29371627 0.90 THRB (1.00) THRBMEN1KMT2ATDP1CTRB1
Amaranth SCHEMBL185414 0.90 THRB (1.00) THRBMEN1KMT2ATDP1CTRB1
Amaranth SCHEMBL344622 0.90 THRB (1.00) THRBMEN1KMT2ATDP1CTRB1
Amaranth SCHEMBL31222692 0.90 THRB (1.00) THRBMEN1KMT2ATDP1CTRB1
Amaranth SCHEMBL4807654 0.89 THRB (0.98) THRBMEN1KMT2ATDP1CTRB1
Amaranth SCHEMBL185412 0.89 THRB (0.98) THRBMEN1KMT2ATDP1CTRB1
SCHEMBL8947271 0.89 THRB (0.78) THRBMEN1KMT2ATDP1CTRB1
Amaranth SCHEMBL9577797 0.89 THRB (0.98) THRBMEN1KMT2ATDP1CTRB1
Amaranth SCHEMBL473254 0.89 THRB (0.98) THRBMEN1KMT2ATDP1CTRB1

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