SCHEMBL9505958

SCHEMBL9505958

CS(=O)(=O)Nc1nc(O)cc(O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 2/20 0.36
KEAP1 Q14145 2/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA2A P08913 2/20 0.34
ADRA2B P18089 2/20 0.34
ADRA2C P18825 2/20 0.34
ADRA1A P35348 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ABL1 P00519 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11171745 0.87 ALDH1A1 (0.35) ADRB3EP300KAT2BKAT8HSD17B1
SCHEMBL2914660 0.76 TSHR (0.56) TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL18719350 0.74 KIF11 (0.38) KEAP1TSHRNPC1LMNAHPGD
SCHEMBL11170465 0.74 ALDH1A1 (0.40) KEAP1TSHRALDH1A1SMN1; SMN2HTT
SCHEMBL9507831 0.71 TSHR (0.65) KEAP1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL27519649 0.70 LMNA (0.50) ALDH1A1SMN1; SMN2HTTNPC1LMNA
SCHEMBL10429480 0.69 TDP1 (0.41) ALDH1A1LMNAHPGDL3MBTL1
SCHEMBL10641826 0.68 CA12 (0.39) KEAP1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL13977617 0.68 KEAP1 (0.40) KEAP1ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL9505994 0.67 CYP1A2 (0.57) TSHRALDH1A1NPC1LMNAL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
US-4942225-A Preparation of diazo and azo compounds using azidoformamidium salts BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0093306-B1 METHODS FOR THE PREPARATION OF AZO COMPOUNDS, AND AZO COMPOUNDS BAYER AG (DE) 1986-09-24 EP disclosed
US-4421601-A LACQUERS, INKS, PAINTS, TEXTILES, PAPER BAYER AKTIENGESELLSCHAFT (DE) 1983-12-20 US disclosed
EP-0093306-A1 Methods for the preparation of azo compounds, and azo compounds BAYER AG (DE) 1983-11-09 EP disclosed
US-4014863-A LACQUERS, PRINTING INKS, PAINTS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed