SCHEMBL8075327

SCHEMBL8075327

COC(=O)c1cc([N+](=O)[O-])c(Br)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.62
FGFR1 P11362 1/20 0.62
PDGFRA P16234 1/20 0.62
FLT1 P17948 1/20 0.62
FGFR3 P22607 1/20 0.62
KDR P35968 1/20 0.62
VCAM1 P19320 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SIRT6 Q8N6T7 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
GALR2 O43603 1/20 0.42
MITF O75030 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
SCHEMBL20594337 0.94 PDGFRB (0.58) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1770763 0.88 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL1721029 0.87 PDGFRB (0.68) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2897709 0.85 PDGFRB (0.67) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14809433 0.83 MEN1 (0.48) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2241736 0.83 PDGFRB (0.63) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17560543 0.82 PDGFRB (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6348564 0.82 TSHR (0.51) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL273449 0.82 PDGFRB (0.62) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31739112 0.82 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3

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 6 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
US-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed
US-5856344-A CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; STOCK HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-05 US disclosed
US-5744641-A Sulfonyl- or sulfinylbenzoylguanidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-04-28 US disclosed
CN-1159444-A Sulfuryl amino substituted benzoyl guanidine, preparation process and applications as medicine or diagnostic agent and the medicine containing same HOECHST AG (DE) 1997-09-17 CN disclosed
CN-1148590-A Sulfuryl or sulfinyl benzoyl guanidine derivative MERCK PATENT GMBH (DE) 1997-04-30 CN disclosed