SCHEMBL6974700

SCHEMBL6974700

CCn1c(CCCOC(N)=O)nc(C(C)C)c1Sc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.35
SLC6A9 P48067 3/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 3/20 0.33
NTRK1 P04629 1/20 0.33
NTRK2 Q16620 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL6975636 0.94 ALOX12 (0.36) ALOX12SLC6A9TP53RXFP1LMNA
SCHEMBL6966228 0.91 TLR8 (0.32) LMNATLR8PPARG
SCHEMBL7081807 0.90 ALOX12 (0.35) ALOX12SLC6A9TP53RXFP1LMNA
SCHEMBL6973034 0.89 MAPT (0.36) SLC6A9MAPTMEN1RECQLKMT2A
SCHEMBL6969465 0.89 MAOB (0.38) ALOX12SLC6A9TP53RXFP1MEN1
SCHEMBL6965960 0.89 LMNA (0.34) ALOX12SLC6A9MAPTLMNAKDM4E
SCHEMBL6972949 0.89 ALOX12 (0.37) ALOX12SLC6A9TP53RXFP1AKR1B1
SCHEMBL6968991 0.89 LMNA (0.41) MEN1KMT2ALMNAALDH1A1PPARG
SCHEMBL8492927 0.87 LMNA (0.38) SLC6A9MAPTMEN1KMT2ALMNA
SCHEMBL6961282 0.87 SMN1; SMN2 (0.35) SLC6A9TP53RXFP1MAPTKMT2A

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