SCHEMBL18218115

SCHEMBL18218115

Cc1cc(S(=O)(=O)O)cc2ccc(N=Nc3ccccc3S(=O)(=O)O)c(O)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP1A2 P05177 6/20 0.47
▸ CYP2C9 P11712 3/20 0.46
▸ DNASE1L3 Q13609 1/20 0.46
▸ CTRB1 P17538 1/20 0.44
▸ HIF1A Q16665 3/20 0.44
▸ FUT8 Q9BYC5 1/20 0.44
▸ PHLPP2 Q6ZVD8 1/20 0.44
▸ THRB P10828 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ APP P05067 1/20 0.43
▸ CYP3A4 P08684 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
SCHEMBL13763680 0.86 CYP1A2 (0.64) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL18218137 0.85 ENPP2 (0.41) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL18218136 0.84 MEN1 (0.44) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL18218138 0.83 CYP1A2 (0.50) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL3033140 0.83 CTRB1 (0.56) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL18218143 0.83 ENPP2 (0.46) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL18218114 0.82 MAPK1 (0.49) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL12589955 0.78 FUT8 (0.67) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL1097287 0.78 CYP1A2 (0.58) ALDH1A1MAPK1MEN1KMT2ACYP1A2
SCHEMBL1097289 0.78 CYP1A2 (0.58) ALDH1A1MAPK1MEN1KMT2ACYP1A2

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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