SCHEMBL4579446

SCHEMBL4579446

Cc1cc(C)c(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)cc1C.[NaH].[NaH]

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.78
▸ ALDH1A1 P00352 2/20 0.78
▸ CYP1A2 P05177 4/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ THRB P10828 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ SUMO2 P61956 1/20 0.55
▸ SUMO1 P63165 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP3 Q9H4L4 1/20 0.55
▸ SENP2 Q9HC62 1/20 0.55
▸ SENP1 Q9P0U3 1/20 0.55
▸ ENPP2 Q13822 8/20 0.54
▸ CYP2C9 P11712 3/20 0.52
▸ HTT P42858 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTPRA P18433 1/20 0.47
▸ PTPRB P23467 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL10622991 0.89 HIF1A (0.98) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL8947352 0.88 ALDH1A1 (0.73) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL8816124 0.87 HIF1A (1.00) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL6846279 0.87 HIF1A (1.00) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL4068193 0.87 HIF1A (1.00) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL1259518 0.86 CYP1A2 (0.74) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL30655205 0.86 HIF1A (0.78) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL592666 0.85 HIF1A (0.69) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL15424214 0.84 CYP1A2 (0.68) HIF1AALDH1A1CYP1A2MEN1KMT2A
SCHEMBL14418524 0.84 ALDH1A1 (0.74) HIF1AALDH1A1CYP1A2MEN1KMT2A

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
JP-2008045055-A MATERIAL HAVING POLYROTAXANE WHICH BRINGS ABOUT HIGH DIFFUSION COEFFICIENT UNIV OF TOKYO 2008-02-28 — — JP disclosed
WO-2008020618-A1 POLYROTAXANE-CONTAINING MATERIAL EXERTING HIGH DIFFUSION COEFFICIENT THE UNIVERSITY OF TOKYO (JP) 2008-02-21 — — WO disclosed
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