SCHEMBL6969235

SCHEMBL6969235

CCCCCCn1c(CCOC(N)=O)nc(C(C)C)c1Sc1cc(C)cc(C)c1

nearest known ligand 0.31

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
TSSK1B Q9BXA7 1/20 0.31
MAPT P10636 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
GRK6 P43250 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
PLA2G2A P14555 1/20 0.30
GCGR P47871 1/20 0.30

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
SCHEMBL7085912 0.95 TP53 (0.32) TP53KDM4EGLASAE1UBA2
SCHEMBL6973113 0.92 SMN1; SMN2 (0.34) MAPT
SCHEMBL7084691 0.92 SMN1; SMN2 (0.32) KDM4EGLASAE1UBA2
SCHEMBL6966653 0.91 TSSK1B (0.32) TSSK1BMAPTPSEN1PSEN2APH1B
SCHEMBL8109378 0.90 HSP90B1 (0.36) TP53MAPTPSEN1PSEN2APH1B
SCHEMBL6968457 0.90 GCGR (0.32) TP53PSEN1PSEN2APH1BNCSTN
SCHEMBL6973264 0.89 ALDH1A1 (0.33) MAPT
SCHEMBL6969118 0.88
SCHEMBL6974730 0.87 ALDH1A1 (0.32) KDM4EMAPT
SCHEMBL6966575 0.86 ALDH1A1 (0.33) GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
US-5910506-A IMIDAZOLE DERIVATIVES, E.G.5-(3,5-DICHLOROPHENYLTHIO)-1,2-DIMETHYL-4-ISOPROPYL-1H-IMIDAZOLE; VIRICIDES; AIDS; NONTOXIC SHIONOGI & CO., LTD. (JP) 1999-06-08 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed