SCHEMBL3714723

SCHEMBL3714723

Cc1ccc(N=Nc2cc(S(=O)(=O)O)c3ccccc3c2)cc1.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATIC P31939 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SENP2 Q9HC62 6/20 0.51
SUMO2 P61956 5/20 0.51
SUMO1 P63165 5/20 0.51
SENP7 Q9BQF6 5/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
APP P05067 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
SNCA P37840 1/20 0.48

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
SCHEMBL3714721 1.00 ATIC (0.52) ATICCYP1A2CYP2C9ALDH1A1ALOX15
SCHEMBL14413251 0.86 SUMO2 (0.60) ATICCYP1A2CYP2C9ALDH1A1ALOX15
SCHEMBL18218118 0.86 SENP2 (0.64) ATICCYP1A2CYP2C9ALDH1A1SENP2
SCHEMBL3714722 0.84 APP (0.49) ATICCYP1A2CYP2C9ALDH1A1ALOX15
SCHEMBL9777411 0.84 ATIC (0.53) ATICCYP1A2CYP2C9ALDH1A1ALOX15
SCHEMBL9777415 0.84 ATIC (0.53) ATICCYP1A2CYP2C9ALDH1A1ALOX15
SCHEMBL13239164 0.82 SENP2 (0.66) ATICCYP1A2ALDH1A1SENP2SUMO2
SCHEMBL13763487 0.81 CYP1A2 (0.52) ATICCYP1A2CYP2C9ALDH1A1HIF1A
SCHEMBL27752545 0.79 CTRB1 (0.63) ATICCYP1A2CYP2C9ALDH1A1ALOX15
SCHEMBL14988821 0.79 APP (0.79) ATICCYP1A2ALDH1A1SENP2SUMO2

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
WO-2010084376-A1 CONCENTRATION OF MINOR CONSTITUENT OF WELLBORE FLUID SCHLUMBERGER TECHNOLOGY B.V. (NL) 2010-07-29 WO disclosed