SCHEMBL13994851

SCHEMBL13994851

BN=Nc1c(S(=O)(=O)O)cc2ccccc2c1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 8/20 0.50
▸ CYP1A2 P05177 4/20 0.50
▸ CTRC Q99895 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ DNASE1L3 Q13609 1/20 0.50
▸ CTRB1 P17538 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PRMT3 O60678 1/20 0.46
▸ EP300 Q09472 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ ENPP2 Q13822 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PHLPP2 Q6ZVD8 1/20 0.43

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
SCHEMBL13852025 1.00 MPL (0.50) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL13238842 0.85 MPL (0.50) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL13994930 0.85 MPL (0.50) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL12943030 0.84 PRMT3 (0.61) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL5921946 0.83 MPL (0.50) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL23787793 0.82 ENPP2 (0.56) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL13387584 0.81 MPL (0.49) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL20682072 0.81 MPL (0.49) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL14400947 0.81 CYP1A2 (0.72) MPLCYP1A2CTRCCYP2C9MAPK1
SCHEMBL29894000 0.81 CYP1A2 (0.72) MPLCYP1A2CTRCCYP2C9MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 — — US disclosed
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