SCHEMBL6774414

SCHEMBL6774414

CCOCc1nc2c(N)nc(C)c(C)c2n1CCC1CCN(S(=O)(=O)c2cccc3cccnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.47
ALOX15 P16050 3/20 0.47
GAA P10253 3/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL6780316 0.84 TLR7 (0.38) TSHRLMNA
SCHEMBL6780432 0.83 KMT2A (0.43) ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6281876 0.83 TLR7 (0.38) LMNA
SCHEMBL6783346 0.83 TLR7 (0.38) ALDH1A1LMNAL3MBTL1
SCHEMBL6780086 0.82 TLR7 (0.41) GAAALDH1A1TSHRSMN1; SMN2
SCHEMBL6779825 0.81 MEN1 (0.40) GAAALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL6284763 0.81 ALDH1A1 (0.39) GAAALDH1A1
SCHEMBL6780878 0.81 TLR7 (0.36)
SCHEMBL6777762 0.79 TGFBR1 (0.37) ALDH1A1LMNA
SCHEMBL6282958 0.78 TLR7 (0.36) GAAALDH1A1HSD17B10LMNAL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6696465-B2 INDUCING BIOSYNTHESIS OF CYTOKINES; VIRAL AND NEOPLASTIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-02-24 US claimed