SCHEMBL8857591

SCHEMBL8857591

CCOC(=O)N1CCC(n2c(=O)c3cc([N+](=O)[O-])cc(Cl)c3n(CC)c2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.42
USP2 O75604 1/20 0.42
XBP1 P17861 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
TSHR P16473 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 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
SCHEMBL8857623 0.93 KDM4E (0.43) KDM4EHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857555 0.90 HTT (0.45) KDM4EHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857368 0.90 HTT (0.43) KDM4EHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857576 0.85 HTT (0.42) KDM4EHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857495 0.83 KMT2A (0.51) KDM4EHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857586 0.82 POLB (0.46) KDM4EHTTUSP2XBP1SMN1; SMN2
Bromide SCHEMBL8857835 0.81 ALDH1A1 (0.35) HTTALDH1A1MAPTLMNAKMT2A
SCHEMBL8857680 0.81 SMN1; SMN2 (0.53) KDM4EHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857407 0.81 SMN1; SMN2 (0.47) KDM4EHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857337 0.79 HTT (0.41) KDM4EHTTUSP2XBP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658917-A ANTIINFLAMMATION AGENT KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-08-19 US disclosed
US-5648353-A INFLAMMATORY EDEMA KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-07-15 US disclosed
US-5624926-A Piperidinyl-dioxoquinazolines as adenosine reuptake inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-04-29 US disclosed
US-5605900-A USEFUL FOR TREATMENT OF INFLAMMATORY EDEMA, ISCHEMIA AND REPERFUSION DISORDERS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-02-25 US disclosed
EP-0638567-A1 ADENOSINE INCORPORATION INHIBITOR KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1995-02-15 EP disclosed