SCHEMBL8742964

SCHEMBL8742964

COS(=O)(=O)c1[c]ccc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
TDP1 Q9NUW8 3/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 4/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 4/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PTPRC P08575 1/20 0.36
S100A4 P26447 1/20 0.36
ACHE P22303 1/20 0.36
CA2 P00918 2/20 0.36
CA5A P35218 2/20 0.36
CYP3A4 P08684 3/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE2A O00408 1/20 0.36

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
SCHEMBL5868210 0.81 PTGS2 (0.41) HTTTDP1GAAKMT2ATSHR
SCHEMBL8892649 0.79 HTT (0.40) HTTTDP1GAAKMT2ATSHR
SCHEMBL2152622 0.78 TSHR (0.41) HTTTDP1GAAKMT2ATSHR
SCHEMBL8727671 0.78 TSHR (0.41) HTTTDP1GAAKMT2ATSHR
SCHEMBL11413990 0.78 CA2 (0.50) HTTTDP1GAAKMT2ATSHR
SCHEMBL6152627 0.77 ALDH1A1 (0.53) HTTTDP1GAAKMT2ATSHR
SCHEMBL9320332 0.77 CA1 (0.53) HTTTDP1GAAKMT2ATSHR
SCHEMBL9320358 0.75 VCAM1 (0.47) HTTGAAKMT2ALMNAALDH1A1
SCHEMBL29029427 0.74 CA12 (0.36) CA2CA12CA1CA9
SCHEMBL2685223 0.73 HTT (0.47) HTTTDP1KMT2ATSHRLMNA

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
EP-0464736-B1 A process for producing 5-amino-4-halogeno-1H-pyrazole compounds FUJI PHOTO FILM CO LTD (JP) 1997-01-02 EP claimed
US-5122612-A PROCESS FOR PRODUCING 5-AMINO-4-HALOGENO-1H-PYRAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 1992-06-16 US claimed
EP-0464736-A1 A process for producing 5-amino-4-halogeno-1H-pyrazole compounds Fuji Photo Film Co., Ltd. (JP) 1992-01-08 EP claimed
EP-0464736-B1 A process for producing 5-amino-4-halogeno-1H-pyrazole compounds FUJI PHOTO FILM CO LTD (JP) 1997-01-02 EP disclosed
US-5122612-A PROCESS FOR PRODUCING 5-AMINO-4-HALOGENO-1H-PYRAZOLE COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 1992-06-16 US disclosed
EP-0464736-A1 A process for producing 5-amino-4-halogeno-1H-pyrazole compounds Fuji Photo Film Co., Ltd. (JP) 1992-01-08 EP disclosed