SCHEMBL28564381

SCHEMBL28564381

Nc1ccc(N=Nc2cccc3ccccc23)c2cccc(S(=O)(=O)O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SENP2 Q9HC62 4/20 0.54
▸ SENP1 Q9P0U3 4/20 0.54
▸ CTRB1 P17538 1/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ CYP1A2 P05177 5/20 0.49
▸ HIF1A Q16665 3/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ DNASE1L3 Q13609 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ATIC P31939 2/20 0.48
▸ SENP3 Q9H4L4 3/20 0.48
▸ SUMO2 P61956 2/20 0.48
▸ SUMO1 P63165 2/20 0.48
▸ SENP7 Q9BQF6 2/20 0.48
▸ TSHR P16473 1/20 0.47
▸ PTPRA P18433 1/20 0.47
▸ PTPRB P23467 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RAPGEF4 Q8WZA2 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
SCHEMBL15121150 0.86 SENP2 (0.58) SENP2SENP1MAPK1ALDH1A1CYP1A2
SCHEMBL15274136 0.85 SENP2 (0.60) SENP2SENP1MAPK1ALDH1A1CYP1A2
SCHEMBL12177920 0.85 CYP1A2 (0.53) SENP2SENP1CTRB1MAPK1ALDH1A1
SCHEMBL9179509 0.84 SENP2 (0.50) SENP2SENP1MAPK1ALDH1A1CYP1A2
SCHEMBL11683758 0.83 SENP2 (0.51) SENP2SENP1ALDH1A1CYP1A2HPGD
SCHEMBL11883462 0.82 CYP1A2 (0.58) SENP2SENP1CTRB1MAPK1ALDH1A1
SCHEMBL12177970 0.82 ATIC (0.65) SENP2SENP1MAPK1ALDH1A1CYP1A2
SCHEMBL15274152 0.82 SENP3 (0.56) SENP2SENP1MAPK1ALDH1A1CYP1A2
SCHEMBL9177825 0.82 SENP3 (0.56) SENP2SENP1MAPK1ALDH1A1CYP1A2
SCHEMBL9180796 0.82 SENP3 (0.56) SENP2SENP1MAPK1ALDH1A1CYP1A2

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
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 — — CN disclosed
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