SCHEMBL14503632

SCHEMBL14503632

Cc1ccc(N=Nc2cc(SOOO)ccc2S(=O)(=O)O)c2ccc(S(=O)(=O)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ THRB P10828 1/20 0.40
▸ HIF1A Q16665 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ SENP3 Q9H4L4 4/20 0.37
▸ SENP2 Q9HC62 4/20 0.37
▸ SENP1 Q9P0U3 4/20 0.37
▸ SUMO2 P61956 3/20 0.37
▸ SUMO1 P63165 3/20 0.37
▸ SENP7 Q9BQF6 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CYP1A2 P05177 3/20 0.35
▸ ENPP2 Q13822 2/20 0.34
▸ P2RX2 Q9UBL9 2/20 0.34

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
SCHEMBL14451199 0.92 PTPN11 (0.40) PTPN11MEN1KMT2ATDP1THRB
SCHEMBL14451206 0.86 PTPN11 (0.41) PTPN11MEN1KMT2ATDP1THRB
SCHEMBL14533058 0.84 MEN1 (0.49) MEN1KMT2ATDP1THRBHIF1A
SCHEMBL13949394 0.81 MEN1 (0.40) PTPN11MEN1KMT2ATDP1THRB
SCHEMBL14503631 0.80 PTPN11 (0.43) PTPN11MEN1KMT2ATDP1THRB
SCHEMBL14469720 0.79 SENP3 (0.48) MEN1KMT2ATDP1THRBHIF1A
SCHEMBL13239190 0.79 PHLPP2 (0.49) PTPN11MEN1KMT2ATDP1THRB
SCHEMBL14503634 0.77 MEN1 (0.50) PTPN11MEN1KMT2ATDP1THRB
SCHEMBL13949393 0.76 MEN1 (0.38) PTPN11MEN1KMT2ATDP1THRB
SCHEMBL13239191 0.73 PTPN11 (0.47) PTPN11MEN1KMT2ATHRBSENP3

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-7217803-B2 Benzimidazole-pyridone-based azo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-15 — — US disclosed
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