SCHEMBL7087212

SCHEMBL7087212

CCn1c(COCCOC(N)=O)nc(C(C)C)c1Sc1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
DHODH Q02127 1/20 0.33
GCGR P47871 1/20 0.32
SLC6A9 P48067 5/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
DHFR P00374 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
SCHEMBL7084536 0.92 DHODH (0.33) DHODHGCGRSLC6A9CA2CA4
SCHEMBL6973633 0.92 EPHX1 (0.34) EPHX1DHODHGCGRSLC6A9CA2
SCHEMBL6974432 0.92 EPHX1 (0.35) EPHX1DHODHSLC6A9CA2CA4
SCHEMBL7084188 0.91
SCHEMBL6973034 0.90 MAPT (0.36) EPHX1DHODHGCGRSLC6A9CA2
SCHEMBL7081807 0.89 ALOX12 (0.35) SLC6A9LMNADHFR
SCHEMBL7087401 0.89 EPHX1 (0.34) EPHX1GCGRSLC6A9CA2CA4
SCHEMBL6965501 0.89 LMNA (0.33) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7082343 0.88 GRIN1 (0.32) EPHX1LMNAMAPT
SCHEMBL6965379 0.87 CYP2C9 (0.36) ALDH1A1LMNAMAPTMEN1RECQL

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-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
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed