SCHEMBL9530973

SCHEMBL9530973

O=S(=O)(Cl)Cc1ccccc1OC(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
KCNH2 Q12809 3/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 2/20 0.39
TACR1 P25103 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
P2RX7 Q99572 1/20 0.38
DRD1 P21728 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
RORC P51449 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
ALKBH1 Q13686 1/20 0.35

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
SCHEMBL9844357 0.83 TNF (0.39) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL2377482 0.83 TNF (0.41) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1271303 0.83 TNF (0.44) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1271302 0.83 TNF (0.41) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL5696557 0.81 TNF (0.43) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL1272037 0.80 KMT2A (0.40) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL14426917 0.78 TNF (0.40) TNFSLC6A2SLC6A4KCNH2SLC6A3
SCHEMBL5984089 0.77 KDM4E (0.54) KMT2AKDM4EGAAMEN1
SCHEMBL9807492 0.76 POLB (0.35) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6
SCHEMBL270517 0.76 HDAC3 (0.43) SLC6A2SLC6A4KCNH2SLC6A3CYP2D6

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355385-B1 SUBSTITUTED 4-SULPHONYLAMINO-2-AZINYL-1,2,4-TRIAZOL-3-ONES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1993-05-19 EP disclosed
US-5151514-A Triazine substituted herbicides BAYER AKTIENGESELLSCHAFT (DE) 1992-09-29 US disclosed
US-5142060-A Herbicidal substituted 4-sulphonylamino-2-azinyl-1,2,4-triazol-3-ones BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-5126454-A PROCESS FOR THE PREPARATION OF SULPHONYLISOUREAS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-30 US disclosed
US-5089627-A Chemical intermediates therefor BAYER AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-5085687-A HERBICIDAL SUBSTITUTED 4-SULPHONYLAMINO-2-AZINYL-1,2,4-TRIAZOL-3-ONES BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
US-4988381-A HERBICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
EP-0355385-A1 Substituted 4-sulphonylamino-2-azinyl-1,2,4-triazol-3-ones, process and intermediates for their preparation and their use as herbicides BAYER AG (DE) 1990-02-28 EP disclosed