SCHEMBL8363333

SCHEMBL8363333

N#Cc1c(N2CC3NCCOC3C2)c(F)cc2c(=O)c(OC(=O)OC3CC3)c[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR2 P30874 13/20 0.35
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7699514 0.86 KDM4E (0.44) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL8634529 0.86 KDM4E (0.44) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL8366928 0.86 SSTR2 (0.33) SSTR2KDM4EMEN1ALDH1A1HPGD
SCHEMBL5166402 0.76
SCHEMBL7608350 0.75 ALDH1A1 (0.45) SSTR2KDM4EMEN1ALDH1A1HPGD
SCHEMBL7608326 0.75 ALDH1A1 (0.45) SSTR2KDM4EMEN1ALDH1A1HPGD
SCHEMBL7610667 0.75 ALDH1A1 (0.45) SSTR2KDM4EMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7608719 0.74 ALDH1A1 (0.46) SSTR2KDM4EMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7615492 0.74 ALDH1A1 (0.46) SSTR2KDM4EMEN1ALDH1A1HPGD
SCHEMBL8319831 0.74 ALDH1A1 (0.47) KDM4EMEN1ALDH1A1HPGDKMT2A

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
EP-0946176-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO 4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AG (DE) 1999-10-06 EP disclosed
WO-1998026779-A1 THE USE OF 7-(2-OXA-5,8-DIAZABICYCLO[4.3.0]NON-8-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDON CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HELICOBACTER PYLORI INFECTIONS AND ASSOCIATED GASTRODUODENAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed