SCHEMBL9531761

SCHEMBL9531761

COc1ccnc(-n2cnc(S(=O)(=O)N(c3ccccc3)[N+](=O)[O-])n2)n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TXNRD1 Q16881 10/20 0.36
▸ S1PR4 O95977 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HCRTR1 O43613 4/20 0.32
▸ HCRTR2 O43614 4/20 0.32

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
Nitroanilide SCHEMBL9528964 0.78 RORC (0.36) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL9637992 0.74 TXNRD1 (0.41) TXNRD1S1PR4MAPTS1PR1MAPK1
2-Nitroaniline SCHEMBL9528959 0.74 TXNRD1 (0.41) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL27257375 0.74 RORC (0.39) TXNRD1S1PR1HCRTR1HCRTR2
SCHEMBL9528691 0.74 HCRTR1 (0.36) TXNRD1HCRTR1HCRTR2
SCHEMBL6393197 0.61 ALDH1A1 (0.49) MAPK1
SCHEMBL31749121 0.60 TXNRD1 (0.40) TXNRD1S1PR4MAPTS1PR1MAPK1
SCHEMBL27273037 0.59 MEN1 (0.41) S1PR4MAPTS1PR1MAPK1RAB9A
SCHEMBL24920801 0.59 HCRTR1 (0.40) MAPTMAPK1RAB9ANPSR1HCRTR1
SCHEMBL28020279 0.57 NOTUM (0.44) HCRTR1HCRTR2

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-0417875-B1 1-METHOXYPYRIMIDINYL-1H-1,2,4-TRIAZOLE-3-SULFONIC ACID NITROANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-12 — — EP claimed
EP-0417875-A2 1-Methoxypyrimidinyl-1H-1,2,4-triazole-3-sulfonic acid nitroanilides, process for their preparation and their use as agents with herbicidal activity SCHERING AKTIENGESELLSCHAFT (DE) 1991-03-20 — — EP claimed
EP-0417875-B1 1-METHOXYPYRIMIDINYL-1H-1,2,4-TRIAZOLE-3-SULFONIC ACID NITROANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-12 — — EP disclosed
EP-0417875-B1 1-METHOXYPYRIMIDINYL-1H-1,2,4-TRIAZOLE-3-SULFONIC ACID NITROANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1993-05-12 — — EP disclosed
EP-0417875-A2 1-Methoxypyrimidinyl-1H-1,2,4-triazole-3-sulfonic acid nitroanilides, process for their preparation and their use as agents with herbicidal activity SCHERING AKTIENGESELLSCHAFT (DE) 1991-03-20 — — EP disclosed
EP-0417875-A2 1-Methoxypyrimidinyl-1H-1,2,4-triazole-3-sulfonic acid nitroanilides, process for their preparation and their use as agents with herbicidal activity SCHERING AKTIENGESELLSCHAFT (DE) 1991-03-20 — — EP disclosed
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