SCHEMBL8759762

SCHEMBL8759762

COC(=O)c1c(S(=O)(=O)O)ccc([N+](=O)[O-])c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ABCC4 O15439 1/20 0.41
▸ PLIN1 O60240 1/20 0.41
▸ CACNA1F O60840 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ KCNK2 O95069 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ GSR P00390 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41

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
SCHEMBL7777718 0.87 VCAM1 (0.49) VCAM1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL1584481 0.80 TSHR (0.46) VCAM1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL27750330 0.79 TSHR (0.49) VCAM1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL13520113 0.78 TDP1 (0.50) SMN1; SMN2KMT2AMAPTTDP1TSHR
SCHEMBL5309337 0.78 TSHR (0.44) VCAM1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL31305226 0.78 TDP1 (0.50) SMN1; SMN2KMT2AMAPTTDP1TSHR
SCHEMBL543121 0.78 TSHR (0.44) VCAM1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL3710523 0.78 KMT2A (0.52) VCAM1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL5310060 0.78 KMT2A (0.47) VCAM1SMN1; SMN2KMT2AMAPTTDP1
SCHEMBL19071961 0.75 VCAM1 (0.79) VCAM1SMN1; SMN2MAPTALDH1A1LMNA

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-0775137-A1 SACCHARINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
EP-0775123-A2 SACCHARIN DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
EP-0775124-A1 HERBICIDAL SACCHARIN CARBOXYLIC ACID DERIVATIVES AND METHOD FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1997-05-28 — — EP disclosed
WO-1996005198-A1 SACCHARINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
WO-1996005184-A1 HERBICIDAL SACCHARIN CARBOXYLIC ACID DERIVATIVES AND METHOD FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
WO-1996005182-A2 SACCHARIN DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 — — WO disclosed
Send feedback