SCHEMBL13798648

SCHEMBL13798648

Cc1cc(N)c(OCCCS(=O)(=O)O)cc1N=Nc1ccc(SOOO)cc1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.37
▸ TP53 P04637 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ ENPP2 Q13822 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ SUMO2 P61956 2/20 0.31
▸ SUMO1 P63165 2/20 0.31
▸ SENP7 Q9BQF6 2/20 0.31
▸ SENP2 Q9HC62 2/20 0.31
▸ ATIC P31939 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ APP P05067 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL12191838 0.97 PTPN11 (0.35) PTPN11TP53BRD4CREBBPENPP2
SCHEMBL6123828 0.93 PTPN11 (0.37) PTPN11TP53BRD4CREBBPENPP2
SCHEMBL6123849 0.92 PTPN11 (0.40) PTPN11TP53BRD4CREBBPENPP2
SCHEMBL6123910 0.88 PTPN11 (0.36) PTPN11BRD4ENPP2
SCHEMBL6123856 0.88 PTPN11 (0.33) PTPN11
SCHEMBL13798646 0.85 PTPN11 (0.31) PTPN11
SCHEMBL18257345 0.84 TP53 (0.38) TP53BRD4CREBBPENPP2MEN1
SCHEMBL6126049 0.84 P2RX5 (0.41) TP53BRD4CREBBPENPP2MEN1
SCHEMBL13088704 0.83 TP53 (0.44) PTPN11TP53BRD4CREBBPENPP2
SCHEMBL18257343 0.83 P2RX5 (0.43) TP53BRD4CREBBPENPP2MEN1

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
US-7550037-B2 Ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-06-23 — — US disclosed
US-20090011130-A1 INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-01-08 — — US disclosed
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