SCHEMBL8348807

SCHEMBL8348807

Cc1ccc2c(c1)[nH]c(=O)n2CC(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.59
B3GNT2 Q9NY97 1/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.41
RORC P51449 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
KCNMA1 Q12791 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CALCRL Q16602 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 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
SCHEMBL6060306 0.88 DAO (0.60) DAOB3GNT2MEN1KMT2AALDH1A1
SCHEMBL6058994 0.82 DAO (0.57) DAOB3GNT2MEN1KMT2ACYP1A2
SCHEMBL6060512 0.82 DAO (0.57) DAOB3GNT2MEN1KMT2ACYP1A2
SCHEMBL14326956 0.82 KMT2A (0.62) DAOMEN1KMT2AALDH1A1CYP1A2
SCHEMBL13801870 0.81 B3GNT2 (0.51) DAOB3GNT2MEN1KMT2AALDH1A1
SCHEMBL6060274 0.79 IDO1 (0.58) DAOB3GNT2MEN1KMT2AALDH1A1
SCHEMBL10169863 0.79 KMT2A (0.55) DAOMEN1KMT2AALDH1A1GRIN1
SCHEMBL2267066 0.79 CYP1A2 (0.67) DAOB3GNT2MEN1KMT2AALDH1A1
SCHEMBL11705078 0.78 DAO (0.55) DAOMEN1KMT2AALDH1A1CYP1A2
SCHEMBL6059727 0.78 DAO (0.59) DAOMEN1KMT2AALDH1A1CYP1A2

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
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 WO disclosed