SCHEMBL8857586

SCHEMBL8857586

CCOC(=O)N1CCC(n2c(=O)c3cc([N+](=O)[O-])c(Cl)cc3n(CC)c2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
HTT P42858 2/20 0.42
USP2 O75604 1/20 0.42
XBP1 P17861 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
VCAM1 P19320 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GPR174 Q9BXC1 1/20 0.39
OPRM1 P35372 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL8857794 0.85 HTT (0.45) HTTUSP2XBP1SMN1; SMN2L3MBTL1
SCHEMBL8857576 0.84 HTT (0.42) POLBHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857495 0.83 KMT2A (0.51) HTTUSP2XBP1SMN1; SMN2L3MBTL1
SCHEMBL8857591 0.82 KDM4E (0.44) HTTUSP2XBP1SMN1; SMN2L3MBTL1
SCHEMBL8857325 0.81 SMN1; SMN2 (0.48) HTTUSP2XBP1SMN1; SMN2L3MBTL1
Bromide SCHEMBL8857674 0.81 ALDH1A1 (0.44) POLBHTTVCAM1ALDH1A1MAPT
SCHEMBL8857368 0.81 HTT (0.43) POLBHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857571 0.79 PNP (0.51) HTTUSP2XBP1SMN1; SMN2L3MBTL1
SCHEMBL8857337 0.79 HTT (0.41) POLBHTTUSP2XBP1SMN1; SMN2
SCHEMBL8857508 0.77 SMN1; SMN2 (0.51) POLBHTTUSP2XBP1SMN1; 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