SCHEMBL8542808

SCHEMBL8542808

Cc1cc(S(=O)(=O)C2CC2)c([N+](=O)[O-])cc1C(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 3/20 0.37
MAPT P10636 3/20 0.36
VCAM1 P19320 1/20 0.36
MCOLN3 Q8TDD5 2/20 0.36
TSHR P16473 2/20 0.35
GSR P00390 1/20 0.35
POLB P06746 2/20 0.35
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR3 P22607 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 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
SCHEMBL8543171 0.95 TXNRD1 (0.39) TXNRD1MAPTVCAM1MCOLN3TSHR
SCHEMBL8542221 0.95 TXNRD1 (0.41) TXNRD1MAPTVCAM1MCOLN3GSR
SCHEMBL8538162 0.94 TXNRD1 (0.41) TXNRD1MAPTGSRPOLBALDH1A1
SCHEMBL8538600 0.94 TXNRD1 (0.41) TXNRD1MAPTGSRPOLBALDH1A1
SCHEMBL8542635 0.85 TXNRD1 (0.36) TXNRD1MAPTVCAM1MCOLN3GSR
SCHEMBL27375129 0.84 TXNRD1 (0.35) TXNRD1MAPTVCAM1MCOLN3TSHR
SCHEMBL8538637 0.83 MAPT (0.35) MAPTVCAM1MCOLN3POLBALDH1A1
SCHEMBL8538826 0.82 VCAM1 (0.49) MAPTVCAM1TSHRPOLBPDGFRB
SCHEMBL6938291 0.82 SLC9A1 (0.52)
SCHEMBL8543278 0.80 TXNRD1 (0.38) TXNRD1MAPTVCAM1MCOLN3GSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed