SCHEMBL6961900

SCHEMBL6961900

CC(C)c1nc(CCOC(N)=O)n(Cc2ccncc2)c1Sc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
IDO1 P14902 1/20 0.33
P2RX3 P56373 1/20 0.33
SLC6A9 P48067 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
ALOX12 P18054 1/20 0.32
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTPN11 Q06124 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL6965960 0.95 LMNA (0.34) PIM1PIM3IDO1P2RX3SLC6A9
SCHEMBL6968857 0.93 PIM1 (0.33) PIM1PIM3IDO1P2RX3SLC6A9
SCHEMBL6960486 0.92 IDO1 (0.34) IDO1P2RX3SLC6A9CSNK2A2CSNK2B
SCHEMBL6973396 0.92 PIM1 (0.34) PIM1PIM3P2RX3TDP1KMT2A
SCHEMBL6973316 0.92 ALDH1A1 (0.39) TP53LMNAKMT2AALDH1A1
SCHEMBL6960281 0.91 PIM1 (0.36) PIM1PIM3IDO1P2RX3SLC6A9
SCHEMBL7085115 0.91 ENPP2 (0.33) PIM1PIM3SLC6A9MAPTTP53
SCHEMBL6968774 0.90 PIM1 (0.35) PIM1PIM3LMNAKMT2A
SCHEMBL6975636 0.88 ALOX12 (0.36) SLC6A9ALOX12AKR1B1PTGDR2TP53
SCHEMBL6973752 0.88 PDE4A (0.35) MAPTRXFP1LMNAKMT2AL3MBTL1

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