SCHEMBL574046

SCHEMBL574046

CN(C)/C=N/S(=O)(=O)c1cc(C(=O)O)cc([N+](=O)[O-])c1Oc1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HCAR3 P49019 2/20 0.37
HSPB1 P04792 1/20 0.35
SRD5A2 P31213 1/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 3/20 0.34
HPGD P15428 2/20 0.34
VCAM1 P19320 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL574047 1.00 TPMT (0.38) TPMTCRHBPCRHR2MEN1KMT2A
SCHEMBL574048 1.00 TPMT (0.38) TPMTCRHBPCRHR2MEN1KMT2A
SCHEMBL10224543 0.91 VCAM1 (0.44) CRHBPCRHR2MEN1KMT2AHSPB1
SCHEMBL574447 0.91 VCAM1 (0.44) CRHBPCRHR2MEN1KMT2AHSPB1
SCHEMBL574446 0.91 VCAM1 (0.44) CRHBPCRHR2MEN1KMT2AHSPB1
SCHEMBL574029 0.83 VCAM1 (0.46) MEN1KMT2ALMNAPOLBHPGD
SCHEMBL573657 0.83 VCAM1 (0.46) MEN1KMT2ALMNAPOLBHPGD
SCHEMBL10222900 0.83 VCAM1 (0.46) MEN1KMT2ALMNAPOLBHPGD
SCHEMBL11517426 0.83 VCAM1 (0.46) TPMTMEN1KMT2ALMNAPOLB
SCHEMBL11510429 0.81 POLB (0.48) MEN1KMT2ALMNAPOLBTDP1

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-2598478-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Neurotherapeutics Pharma, Inc. (US) 2013-06-05 EP disclosed
WO-2012018635-A2 ARYLSULFONAMIDE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-02-09 WO disclosed