SCHEMBL6968903

SCHEMBL6968903

CC(C)c1nc(CO)n(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TNF P01375 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
SCHEMBL6962178 0.89 LMNA (0.40) MEN1KMT2ALMNATDP1SMN1; SMN2
SCHEMBL6969647 0.87 TLR7 (0.42) TDP1ALDH1A1
SCHEMBL14439848 0.80 POLB (0.46) MEN1KMT2ATDP1POLBSMN1; SMN2
SCHEMBL6973410 0.79 LMNA (0.41) LMNATDP1POLBSMN1; SMN2MAPT
SCHEMBL6966931 0.78 MEN1 (0.43) MEN1KMT2ALMNATDP1POLB
SCHEMBL6972595 0.77 LMNA (0.48) LMNA
SCHEMBL6966848 0.73 TDP1 (0.42) MEN1KMT2ATDP1POLBTP53
SCHEMBL6962108 0.72 TDP1 (0.37) MEN1KMT2ALMNATDP1POLB
SCHEMBL6975192 0.71 TDP1 (0.43) MEN1KMT2ALMNATDP1POLB
SCHEMBL7078348 0.71 SMN1; SMN2 (0.36) MEN1KMT2ATDP1POLBSMN1; 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 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