SCHEMBL14028658

SCHEMBL14028658

CC1CCC2(CC1)CC(CCCc1ccccc1)=NO2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
ACHE P22303 2/20 0.38
P2RX7 Q99572 1/20 0.35
MDM2 Q00987 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14028657 0.92 ACHE (0.40) SIGMAR1ACHEMDM2
SCHEMBL13503873 0.86 ACHE (0.33) SIGMAR1ACHEKMT2A
SCHEMBL14174172 0.85 SORT1 (0.38) SIGMAR1ACHEMDM2
SCHEMBL14028656 0.81 TSHR (0.39) SIGMAR1ACHE
SCHEMBL2912160 0.72 SIGMAR1 (0.38) SIGMAR1
SCHEMBL14168752 0.66 ITGB1 (0.40)
SCHEMBL14884947 0.66 TDP1 (0.38) SIGMAR1
3-[3-(4-Hydroxy-Phenyl)-Propyl]-5-Methyl-5-Phenyl-4,5-Dihydro-Isoxazole (Enantiomeric Mix) SCHEMBL2915705 0.65 CALM1 (0.37) SIGMAR1ACHE
SCHEMBL12516740 0.63 ALDH1A1 (0.40) SIGMAR1MEN1KMT2A
5-Methyl-3-Phenethyl-5-Phenyl-4,5-Dihydroisoxazole (Enantiomeric Mix) SCHEMBL2921112 0.63 ITGB1 (0.38) SIGMAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449485-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES INC. (US) 2008-11-11 US disclosed
US-7358251-B2 N-sulfonylurea apoptosis promoters ABBOTT LABORATORIES (US) 2008-04-15 US disclosed