SCHEMBL6966931

SCHEMBL6966931

CC(C)c1c(Cc2ccccc2)nc(CO)n1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
TNF P01375 1/20 0.36
ADORA1 P30542 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP9 P14780 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6973759 0.80 TP53 (0.36) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL6968903 0.78 MEN1 (0.43) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL96828 0.74 LMNA (0.53) MEN1KMT2ALMNASMN1; SMN2TP53
SCHEMBL6973951 0.73 MEN1 (0.37) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL7081015 0.72 MEN1 (0.36) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL14439848 0.71 POLB (0.46) MEN1KMT2APOLBSMN1; SMN2HTT
SCHEMBL6973406 0.71 KDM4E (0.36) MEN1KMT2APOLBMAPTTLR7
SCHEMBL10836880 0.70 TSHR (0.51) MEN1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL97080 0.70 LMNA (0.55) MEN1KMT2ALMNAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL10838096 0.69 TSHR (0.50) MEN1KMT2ALMNAPOLBSMN1; SMN2

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