SCHEMBL9528691

SCHEMBL9528691

COc1ccnc(-n2cnc(S(=O)(=O)O)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 15/20 0.36
▸ HCRTR2 O43614 15/20 0.36
▸ MAT2A P31153 1/20 0.34
▸ MTNR1A P48039 1/20 0.32
▸ MTNR1B P49286 1/20 0.32
▸ TXNRD1 Q16881 1/20 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
SCHEMBL27257375 0.86 RORC (0.39) HCRTR1HCRTR2MAT2ATXNRD1
SCHEMBL27455546 0.76 LMNA (0.44) HCRTR1HCRTR2MTNR1AMTNR1BTXNRD1
Water SCHEMBL27347655 0.75 LMNA (0.43) HCRTR1HCRTR2MTNR1AMTNR1BTXNRD1
SCHEMBL29242561 0.75 LMNA (0.43) HCRTR1HCRTR2MTNR1AMTNR1BTXNRD1
Nitroanilide SCHEMBL9528964 0.74 RORC (0.36) HCRTR1HCRTR2TXNRD1
SCHEMBL9531761 0.74 TXNRD1 (0.36) HCRTR1HCRTR2TXNRD1
SCHEMBL9637992 0.73 TXNRD1 (0.41) TXNRD1
2-Nitroaniline SCHEMBL9528959 0.73 TXNRD1 (0.41) TXNRD1
SCHEMBL24920801 0.66 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL28020279 0.66 NOTUM (0.44) HCRTR1HCRTR2MAT2AMTNR1AMTNR1B

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
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-A3 1-METHOXYPYRIMIDINYL-1H-1,2,4-TRIAZOLE-3-SULFONIC ACID NITROANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTIVITY — 1991-08-21 — — EP disclosed
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