SCHEMBL9507831

SCHEMBL9507831

O=S(=O)(Nc1nc(O)cc(O)n1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
CYTH2 Q99418 2/20 0.56
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 2/20 0.54
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.51
MAPT P10636 1/20 0.51
IL1RN P18510 1/20 0.50
KEAP1 Q14145 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
APOBEC3G Q9HC16 2/20 0.49
GFER P55789 1/20 0.49
GLA P06280 1/20 0.48
ERBB2 P04626 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
G6PD P11413 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 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
SCHEMBL11173407 0.89 TSHR (0.56) TSHRCYTH2GAASMN1; SMN2PKM
SCHEMBL24309471 0.79 TSHR (0.65) TSHRGAASMN1; SMN2PKMNPSR1
SCHEMBL6670440 0.79 TSHR (1.00) TSHRGAASMN1; SMN2PKMNPSR1
SCHEMBL11171994 0.79 TSHR (0.65) TSHRCYTH2GAASMN1; SMN2PKM
SCHEMBL10643363 0.76 TSHR (0.62) TSHRGAASMN1; SMN2PKMNPSR1
SCHEMBL24310443 0.75 SMN1; SMN2 (0.61) TSHRGAASMN1; SMN2PKMNPSR1
SCHEMBL26810902 0.75 TSHR (0.53) TSHRCYTH2GAASMN1; SMN2PKM
SCHEMBL332569 0.73 TSHR (0.70) TSHRNPSR1LMNAIL1RNKEAP1
SCHEMBL821765 0.72 TSHR (0.62) TSHRGAASMN1; SMN2PKMNPSR1
SCHEMBL24309401 0.72 TSHR (0.66) TSHRCYTH2GAASMN1; SMN2PKM

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-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP 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
US-4014863-A LACQUERS, PRINTING INKS, PAINTS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed