SCHEMBL4254529

SCHEMBL4254529

CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2)C2=C(CCCC2=O)N1.CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2Br)C2=C(CCCC2=O)N1.CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 1/20 0.62
ALDH1A1 P00352 12/20 0.54
KDM4E B2RXH2 10/20 0.54
HSD17B10 Q99714 5/20 0.51
HPGD P15428 4/20 0.51
CASP1 P29466 4/20 0.51
CASP7 P55210 4/20 0.51
BAP1 Q92560 1/20 0.51
GAA P10253 3/20 0.51
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
FFAR3 O14843 1/20 0.47

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
SCHEMBL3249005 0.92 LMNA (0.72) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL3245063 0.91 SMN1; SMN2 (0.73) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL3326457 0.87 LMNA (0.66) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL2992233 0.86 SMN1; SMN2 (0.77) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL3325556 0.85 LMNA (0.68) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL2848300 0.85 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL2848302 0.85 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL2849024 0.84 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL2846778 0.82 HSD17B10 (0.59) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10
SCHEMBL2846776 0.82 HSD17B10 (0.59) SMN1; SMN2LMNAALDH1A1KDM4EHSD17B10

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-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed