SCHEMBL27375129

SCHEMBL27375129

C=NC(=O)c1cc([N+](=O)[O-])c(S(=O)(=O)C2CC2)cc1C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 0.35
MAPT P10636 1/20 0.35
SLC9A1 P19634 1/20 0.34
VCAM1 P19320 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 2/20 0.33
PDGFRB P09619 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32

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 0.95 TXNRD1 (0.37) TXNRD1MAPTPOLBALDH1A1LMNA
SCHEMBL27371460 0.95 TXNRD1 (0.35) TXNRD1MAPTSLC9A1VCAM1MCOLN3
SCHEMBL27372102 0.94 TXNRD1 (0.37) TXNRD1MAPTPOLBALDH1A1LMNA
SCHEMBL27531434 0.86 TXNRD1 (0.34) TXNRD1MAPTMCOLN3ALDH1A1LMNA
SCHEMBL6938291 0.86 SLC9A1 (0.52) SLC9A1
SCHEMBL27375865 0.84 MAPT (0.34) MAPTVCAM1MCOLN3ALDH1A1LMNA
SCHEMBL8542808 0.84 TXNRD1 (0.37) TXNRD1MAPTVCAM1MCOLN3TSHR
SCHEMBL27374122 0.83 SLC9A1 (0.47) MAPTSLC9A1VCAM1POLBHTT
SCHEMBL6933357 0.81 SLC9A1 (0.50) SLC9A1
SCHEMBL6938035 0.81 SLC9A1 (0.50) SLC9A1

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