SCHEMBL8857576

SCHEMBL8857576

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
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
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TNF P01375 1/20 0.40
LITAF Q99732 1/20 0.40
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
GPR174 Q9BXC1 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 3/20 0.38
VCAM1 P19320 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8857337 0.93 HTT (0.41) HTTUSP2XBP1SMN1; SMN2MEN1
SCHEMBL8857368 0.90 HTT (0.43) HTTUSP2XBP1SMN1; SMN2MEN1
SCHEMBL8857591 0.85 KDM4E (0.44) HTTUSP2XBP1SMN1; SMN2MEN1
SCHEMBL8857586 0.84 POLB (0.46) HTTUSP2XBP1SMN1; SMN2MEN1
Bromide SCHEMBL8857813 0.81 TNF (0.41) HTTTNFLITAFMAPTALDH1A1
SCHEMBL8857623 0.79 KDM4E (0.43) HTTUSP2XBP1SMN1; SMN2MEN1
SCHEMBL8857495 0.78 KMT2A (0.51) HTTUSP2XBP1SMN1; SMN2MEN1
SCHEMBL8857414 0.77 KMT2A (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL8857555 0.77 HTT (0.45) HTTUSP2XBP1SMN1; SMN2MEN1
SCHEMBL8857406 0.77 HTT (0.46) HTTUSP2XBP1SMN1; SMN2MEN1

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