SCHEMBL11628567

SCHEMBL11628567

COc1cccc(S(=O)(=O)Oc2ccc(N)c([N+](=O)[O-])c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.45
FFAR4 Q5NUL3 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL11449191 0.93 ALDH1A1 (0.50) GPR17SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL11663270 0.89 TDP1 (0.54) GPR17SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL11628222 0.86 TSHR (0.52) GPR17SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL11460035 0.86 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1POLBMAPTHTT
SCHEMBL11518080 0.84 FFAR4 (0.56) GPR17SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL10656287 0.84 GPR17 (0.50) GPR17SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL11623604 0.84 GPR17 (0.47) GPR17SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL11623279 0.84 SMN1; SMN2 (0.53) GPR17SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL11844319 0.83 LMNA (0.49) GPR17SMN1; SMN2ALDH1A1HTTKMT2A
SCHEMBL11449025 0.82 TSHR (0.54) GPR17SMN1; SMN2ALDH1A1POLBMAPT

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-4069325-A 3-Carbalkoxyamino-1H-2,1,4-benzothiadiazine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1978-01-17 US disclosed
US-3996368-A Anthelmintically active 2-carbalkoxyamino-5(6)-phenyl sulfonyloxy benzimidazoles HOECHST AKTIENGESELLSCHAFT (DT) 1976-12-07 US disclosed