SCHEMBL18218136

SCHEMBL18218136

Cc1cc(S(=O)(=O)O)cc2ccc(N=Nc3ccc(CO)cc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ P2RX5 Q93086 2/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ P2RX2 Q9UBL9 2/20 0.41
▸ ENPP2 Q13822 2/20 0.41
▸ MAPK1 P28482 3/20 0.40
▸ CYP2C9 P11712 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ APP P05067 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL18218115 0.84 ALDH1A1 (0.49) MEN1KMT2AHTTALDH1A1HIF1A
SCHEMBL18218126 0.78 CTRB1 (0.46) MEN1KMT2AALDH1A1HIF1AENPP2
SCHEMBL18218138 0.75 CYP1A2 (0.50) MEN1KMT2AHTTALDH1A1HIF1A
SCHEMBL18218137 0.75 ENPP2 (0.41) MEN1KMT2AHTTALDH1A1HIF1A
SCHEMBL18218119 0.75 CYP1A2 (0.43) MEN1KMT2AALDH1A1HIF1AP2RX5
SCHEMBL18218114 0.74 MAPK1 (0.49) MEN1KMT2AHTTALDH1A1HIF1A
SCHEMBL12722473 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HIF1AP2RX5
SCHEMBL12157630 0.73 ENPP2 (0.50) MEN1KMT2AALDH1A1HIF1AENPP2
SCHEMBL18218125 0.72 CYP1A2 (0.45) MEN1KMT2AHTTALDH1A1HIF1A
SCHEMBL15935128 0.72 SUMO2 (0.41) MEN1KMT2AHTTALDH1A1HIF1A

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-20160326384-A1 HIGH FIXATION INK COMPOSITION FOR DIGITAL TEXTILE PRINTING EVERLIGHT CHEMICAL INDUSTRIAL CORPORATION (TW) 2016-11-10 — — US disclosed
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