Nitroanilide

Nitroanilide

SCHEMBL9528964

COc1ccnc(-n2cnc(S(N)(=O)=O)n2)n1.O=[N+]([O-])Nc1ccccc1

nearest known ligand 0.36

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.36
▸ TXNRD1 Q16881 7/20 0.36
▸ MAPT P10636 2/20 0.34
▸ S1PR4 O95977 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
▸ CA12 O43570 4/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ HCRTR1 O43613 5/20 0.32
▸ HCRTR2 O43614 5/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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) RORCTXNRD1S1PR1CA12CA1
2-Nitroaniline SCHEMBL9528959 0.84 TXNRD1 (0.41) RORCTXNRD1MAPTS1PR4S1PR1
SCHEMBL9531761 0.78 TXNRD1 (0.36) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL9637992 0.77 TXNRD1 (0.41) TXNRD1MAPTS1PR4S1PR1MAPK1
SCHEMBL9528691 0.74 HCRTR1 (0.36) TXNRD1HCRTR1HCRTR2
SCHEMBL9526332 0.68 RORC (0.39) RORC
Nitroanilide SCHEMBL5718352 0.62 L3MBTL1 (0.50) MAPTMAPK1RAB9AGFERCA12
Nitroanilide SCHEMBL6001 0.62 L3MBTL1 (0.50) MAPTMAPK1RAB9AGFERCA12
Sulfanilamide SCHEMBL27456897 0.61 CA9 (0.55) MAPTCA12CA1CA2CA9
Nitroanilide SCHEMBL6868720 0.61 CA2 (0.44) MAPTMAPK1CA12CA1CA2

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 1 patent. 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
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