SCHEMBL7777443

SCHEMBL7777443

CC(C)(C)OC(=O)N1CCN(c2nc(N)nc(N)c2N=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
GBA1 P04062 2/20 0.42
PTPN11 Q06124 1/20 0.42
KIT P10721 2/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
TLR9 Q9NR96 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TLR8 Q9NR97 1/20 0.39
PIK3CA P42336 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 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
SCHEMBL5467834 0.82 KDM4E (0.46) MAP4K4GBA1PTPN11ALDH1A1LMNA
SCHEMBL978369 0.80 MAP4K4 (0.46) MAP4K4SMARCA2SMARCA4PBRM1GBA1
SCHEMBL13996889 0.80 PTPN11 (0.48) MAP4K4SMARCA2SMARCA4PBRM1PTPN11
SCHEMBL655402 0.79 MAP4K4 (0.46) MAP4K4SMARCA2SMARCA4PBRM1GBA1
SCHEMBL654787 0.78 MAP4K4 (0.45) MAP4K4SMARCA2SMARCA4PBRM1GBA1
SCHEMBL14697627 0.77 LMNA (0.56) MAP4K4SMARCA2SMARCA4PBRM1GBA1
SCHEMBL14941987 0.77 MAP4K4 (0.41) MAP4K4SMARCA2SMARCA4PBRM1GBA1
SCHEMBL20507720 0.73 MAP4K4 (0.48) MAP4K4SMARCA2SMARCA4PBRM1GBA1
SCHEMBL18282608 0.73 SMARCA2 (0.49) MAP4K4SMARCA2SMARCA4PBRM1GBA1
SCHEMBL1030947 0.72 HRH4 (0.61) MAP4K4SMARCA2SMARCA4PBRM1GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0574906-B1 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO (JP) 2001-08-22 EP disclosed
US-5380724-A Inhibitors of lipid peroxidation GYOGYSZERKUTATO INTEZET KFT (HU) 1995-01-10 US disclosed
EP-0574906-A2 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-12-22 EP disclosed