SCHEMBL11744059

SCHEMBL11744059

CCC(C)(C)Nc1cc(C)c(C(C)=O)c(NC(C)(C)CC)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PTBP1 P26599 1/20 0.31
▸ LATS1 O95835 1/20 0.30
▸ LATS2 Q9NRM7 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL11737201 0.84 NPSR1 (0.33) SMN1; SMN2NPSR1POLBALDH1A1KDM4E
SCHEMBL5143956 0.82 SMN1; SMN2 (0.35) SMN1; SMN2POLBCDK2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11743005 0.81 SMN1; SMN2 (0.34) SMN1; SMN2CDK2ALDH1A1KDM4EHPGD
Bromide SCHEMBL11739645 0.81 SMN1; SMN2 (0.34) SMN1; SMN2CDK2ALDH1A1KDM4EHPGD
SCHEMBL11738008 0.77 GLP1R (0.37) SMN1; SMN2CDK2ALDH1A1L3MBTL1
SCHEMBL11723495 0.75 CCNE2 (0.33) SLC29A1CCNE2CDK4CCND1CCNE1
SCHEMBL11723530 0.70 CCNE2 (0.32) SLC29A1CCNE2CDK4CCND1CCNE1
SCHEMBL11733104 0.69 POLB (0.42) SMN1; SMN2POLBCDK2ALDH1A1KDM4E
SCHEMBL11739718 0.65 ALDH1A1 (0.37) SLC29A1CCNE2CDK4CCND1CCNE1
SCHEMBL26538070 0.65 MAPT (0.41) POLBALDH1A1KDM4ETSHRHSD17B10

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-4052510-A 4-ALKYL-2,6-DI(SECONDARY OR TERTIARY ALKYLAMINO) PYRIDINES, COMPOSITIONS THEREOF AND METHODS FOR TREATING DIABETES AND OBESITY SANDOZ, INC. (US) 1977-10-04 — — US disclosed
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