SCHEMBL9480849

SCHEMBL9480849

COc1nc(NC(NS(=O)(=O)c2ccccc2Br)=[N+](OC)S(=O)(=O)c2ccccc2Br)nc(OC)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RECQL P46063 2/20 0.33
MAPT P10636 1/20 0.33
EDNRA P25101 2/20 0.32
EDNRB P24530 1/20 0.32
CCR4 P51679 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
SCHEMBL10633931 0.87 ALDH1A1 (0.39) POLBALDH1A1MAPTEDNRAEDNRB
SCHEMBL9684325 0.86 MAPT (0.46) KDM4ENPC1ALDH1A1MAPT
SCHEMBL9478862 0.85 SMN1; SMN2 (0.45) ALDH1A1MAPT
SCHEMBL10500864 0.82 SLC22A12 (0.43) ALDH1A1CCR4
SCHEMBL10563335 0.80 KDM4E (0.43) CA1CA2CA9KDM4ENPC1
SCHEMBL10503157 0.78 ALDH1A1 (0.31) KDM4ENPC1ALDH1A1MAPT
SCHEMBL10918288 0.76 SLC22A12 (0.39) CCR4
SCHEMBL10641478 0.75 ALDH1A1 (0.44) CA1CA2CA9KDM4ENPC1
SCHEMBL10415285 0.75 KDM4E (0.46) POLBCA1CA2CA9KDM4E
SCHEMBL10761883 0.74 HPGD (0.45) POLBNPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5221317-A Herbicidal sulphonylaminoguanidinoazines BAYER AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0343462-B1 AMINOGUANIDINO AZINES BAYER AG (DE) 1991-12-11 EP disclosed
US-4952233-A PRE-AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1990-08-28 US disclosed
EP-0302378-A2 Sulphonylaminoguanidino azines BAYER AG (DE) 1989-02-08 EP disclosed