SCHEMBL876514

SCHEMBL876514

CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 3/20 0.64
CRHR2 Q13324 3/20 0.64
CCR2 P41597 5/20 0.58
NHERF1 O14745 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
DNMT1 P26358 1/20 0.48
DNMT3A Q9Y6K1 1/20 0.48
GUSB P08236 1/20 0.47
VCAM1 P19320 3/20 0.47
MCL1 Q07820 1/20 0.46
HSP90AA1 P07900 1/20 0.46
SLC25A1 P53007 1/20 0.46
MAPT P10636 2/20 0.45
PKM P14618 2/20 0.45
HTT P42858 1/20 0.45
SLC10A2 Q12908 1/20 0.44
SLC10A1 Q14973 1/20 0.44

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
SCHEMBL30680186 0.85 CRHBP (0.67) CRHBPCRHR2CCR2NHERF1MEN1
SCHEMBL397429 0.85 CRHBP (0.67) CRHBPCRHR2CCR2NHERF1MEN1
SCHEMBL8523070 0.83 CRHBP (0.64) CRHBPCRHR2CCR2NHERF1MEN1
SCHEMBL10531035 0.81 CRHBP (0.75) CRHBPCRHR2CCR2NHERF1MEN1
SCHEMBL10529379 0.80 CRHBP (0.82) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL3376788 0.80 CRHBP (0.78) CRHBPCRHR2NHERF1MEN1KMT2A
SCHEMBL8309888 0.78 CRHBP (1.00) CRHBPCRHR2NHERF1MEN1KMT2A
SCHEMBL9515445 0.78 CRHBP (0.74) CRHBPCRHR2NHERF1MEN1KMT2A
SCHEMBL6816523 0.78 CRHBP (0.65) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL12377069 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1GUSBVCAM1

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-2618659-A1 FUNGICIDAL COMPOSITIONS AND METHODS OF USE Bayer Intellectual Property GmbH (DE) 2013-07-31 EP disclosed
WO-2012039846-A1 FUNGICIDAL COMPOSITIONS AND METHODS OF USE BAYER CROPSCIENCE LP (US) 2012-03-29 WO disclosed