SCHEMBL27372102

SCHEMBL27372102

C=NC(=O)c1cc([N+](=O)[O-])c(S(=O)(=O)C2CCCCC2)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 3/20 0.37
GSR P00390 1/20 0.36
MAPT P10636 5/20 0.35
HTT P42858 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 3/20 0.35
THRB P10828 3/20 0.35
PPARG P37231 2/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
EPHX2 P34913 1/20 0.34
VDR P11473 1/20 0.34
NOD2 Q9HC29 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27357995 0.99 TXNRD1 (0.37) TXNRD1GSRMAPTHTTMEN1
SCHEMBL27371460 0.97 TXNRD1 (0.35) TXNRD1GSRMAPTHTTLMNA
SCHEMBL27375129 0.94 TXNRD1 (0.35) TXNRD1MAPTHTTLMNAPOLB
SCHEMBL6934953 0.87 SLC9A1 (0.49)
SCHEMBL6936182 0.87 SLC9A1 (0.49)
SCHEMBL27528085 0.87 TXNRD1 (0.35) TXNRD1GSRMAPTHTTMEN1
SCHEMBL6938035 0.85 SLC9A1 (0.50)
SCHEMBL27355048 0.85 TXNRD1 (0.36) TXNRD1GSRMAPTHTTMEN1
SCHEMBL8538162 0.85 TXNRD1 (0.41) TXNRD1GSRMAPTHTTMEN1
SCHEMBL8538600 0.85 TXNRD1 (0.41) TXNRD1GSRMAPTHTTMEN1

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
CN-1071743-C Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 2001-09-26 CN disclosed
CN-1148590-A Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed