SCHEMBL843383

SCHEMBL843383

CC(C)Cn1c(N(C)C(=O)O)nc2c[n+]([O-])c3cccnc3c21

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 2/20 0.31
TP53 P04637 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL841480 0.81 ALDH1A1 (0.36) ALDH1A1LMNATP53CASP1HTT
SCHEMBL4061433 0.81 ALDH1A1 (0.36) ALDH1A1LMNATP53HTTSMN1; SMN2
SCHEMBL4061438 0.81 ALDH1A1 (0.36) ALDH1A1LMNATP53HTTSMN1; SMN2
SCHEMBL191733 0.80 HTR2A (0.33) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL192091 0.78 TSHR (0.38) TP53
SCHEMBL5124109 0.77 TP53 (0.32) LMNATP53
SCHEMBL842632 0.76 TLR7 (0.42) ALDH1A1LMNATP53
SCHEMBL4056836 0.71 TLR7 (0.40) ALDH1A1LMNASMN1; SMN2
SCHEMBL843176 0.71 TLR7 (0.46)
SCHEMBL5808831 0.70 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HSD17B10

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-8143270-B2 2-amino 1H-in-imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-27 US disclosed