SCHEMBL14503631

SCHEMBL14503631

Cc1cc(C)c(N=Nc2cc(SOOO)ccc2S(=O)(=O)O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.43
▸ BRD4 O60885 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ SENP2 Q9HC62 4/20 0.33
▸ SUMO2 P61956 3/20 0.33
▸ SUMO1 P63165 3/20 0.33
▸ SENP7 Q9BQF6 3/20 0.33
▸ SENP1 Q9P0U3 3/20 0.33
▸ SENP3 Q9H4L4 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ ATIC P31939 1/20 0.32
▸ APP P05067 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL13088704 0.81 TP53 (0.44) PTPN11BRD4TP53CREBBPSENP2
SCHEMBL14451206 0.81 PTPN11 (0.41) PTPN11TP53SENP2SUMO2SUMO1
SCHEMBL14503632 0.80 PTPN11 (0.40) PTPN11SENP2SUMO2SUMO1SENP7
SCHEMBL12052556 0.80 PTPN11 (0.40) PTPN11BRD4ALDH1A1MAPT
SCHEMBL6123828 0.79 PTPN11 (0.37) PTPN11BRD4TP53CREBBPSENP2
SCHEMBL13860897 0.78 PTPN11 (0.40) PTPN11BRD4TP53CREBBPSENP2
SCHEMBL14451199 0.78 PTPN11 (0.40) PTPN11TP53SENP2SUMO2SUMO1
SCHEMBL13298506 0.77 PTPN11 (0.38) PTPN11SENP2SUMO2SUMO1SENP7
SCHEMBL13419025 0.77 PTPN11 (0.40) PTPN11BRD4RECQL
SCHEMBL13802980 0.76 PTPN11 (0.47) PTPN11SENP2SUMO2SUMO1SENP7

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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