SCHEMBL2776374

SCHEMBL2776374

O=S(=O)(O)c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2Nc2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATIC P31939 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP1A2 P05177 4/20 0.47
▸ HIF1A Q16665 3/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ SENP3 Q9H4L4 2/20 0.46
▸ SENP2 Q9HC62 2/20 0.46
▸ SENP1 Q9P0U3 2/20 0.46
▸ SUMO2 P61956 1/20 0.46
▸ SUMO1 P63165 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ CYP2C9 P11712 3/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTPRA P18433 1/20 0.46
▸ PTPRB P23467 1/20 0.46
▸ RAPGEF4 Q8WZA2 1/20 0.46
▸ KMT2A Q03164 3/20 0.46

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
SCHEMBL3329717 0.95 SENP2 (0.49) ATICPOLBCYP2D6CYP1A2HIF1A
SCHEMBL3329715 0.95 SENP2 (0.49) ATICPOLBCYP2D6CYP1A2HIF1A
SCHEMBL3324714 0.78 KMT2A (0.43) ATICPOLBCYP2D6CYP1A2HIF1A
SCHEMBL3329718 0.77 POLB (0.51) ATICPOLBCYP2D6CYP1A2HIF1A
SCHEMBL6819284 0.77 CTRB1 (0.66) ATICPOLBCYP2D6CYP1A2HIF1A
SCHEMBL28545663 0.74 CYP1A2 (0.66) ATICPOLBCYP2D6CYP1A2HIF1A
SCHEMBL1348097 0.73 ALDH1A1 (0.53) CYP2D6CYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL10979177 0.73 APEX1 (0.56) POLBCYP1A2HIF1AALDH1A1CYP2C9
SCHEMBL92075 0.71 KMT2A (0.56) POLBCYP2D6CYP1A2HIF1AALDH1A1
SCHEMBL28700566 0.71 KEAP1 (0.67) CYP2D6CYP1A2ALDH1A1CYP2C9CYP2C19

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
US-20100178203-A1 Non-Invasive Colorimetric-Based Infection Detector And Infection Detecting Bandage POLESTAR TECHNOLOGIES, INC. (US) 2010-07-15 — — US claimed
US-20100178203-A1 Non-Invasive Colorimetric-Based Infection Detector And Infection Detecting Bandage POLESTAR TECHNOLOGIES, INC. (US) 2010-07-15 — — US disclosed
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