SCHEMBL4678928

SCHEMBL4678928

COC1CCC(Cn2ccc(C)c([N+](=O)[O-])c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
DAO P14920 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL4684044 1.00 GRM2 (0.34) GRM2JAK2JAK1TYK2JAK3
SCHEMBL4678930 1.00 GRM2 (0.34) GRM2JAK2JAK1TYK2JAK3
SCHEMBL4682912 0.80 GRM2 (0.36) GRM2JAK2JAK1TYK2JAK3
SCHEMBL4683778 0.80 GRM2 (0.36) GRM2JAK2JAK1TYK2JAK3
SCHEMBL4682908 0.80 GRM2 (0.36) GRM2JAK2JAK1TYK2JAK3
SCHEMBL25763004 0.68 HPGD (0.34) ALDH1A1LMNAHTT
SCHEMBL29062970 0.68 HPGD (0.34) ALDH1A1LMNAHTT
SCHEMBL15803826 0.66 RECQL (0.50) GRM2ALDH1A1HTT
SCHEMBL29063201 0.65 ALDH1A1 (0.38) ALDH1A1TDP1LMNAHTT
SCHEMBL25762998 0.65 ALDH1A1 (0.38) ALDH1A1TDP1LMNAHTT

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-1045836-B1 PYRIDONES AS SRC FAMILY SH2 DOMAIN INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2008-03-05 EP disclosed
US-6284768-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-09-04 US disclosed
US-6268365-B1 Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-07-31 US disclosed
US-6054470-A Src family SH2 domain inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-25 US disclosed