SCHEMBL4083094

SCHEMBL4083094

N#CC1=C(N)OC2=C(C(=O)CC2)C1c1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.66
ALDH1A1 P00352 6/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
MET P08581 1/20 0.47
POLB P06746 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
SCHEMBL28669991 0.82 ALDH1A1 (0.79) ALDH1A1TSHRKDM4EMEN1MAPT
SCHEMBL3005458 0.81 GAA (0.52) GAAALDH1A1TSHRKDM4EMEN1
SCHEMBL3129599 0.80 ALDH1A1 (0.72) GAAALDH1A1TSHRKDM4EMEN1
SCHEMBL28162015 0.80 GAA (1.00) GAAALDH1A1TSHRKDM4EMEN1
SCHEMBL6706771 0.77 GAA (0.73) GAAALDH1A1TSHRKDM4EMEN1
SCHEMBL3002479 0.73 GAA (0.71) GAAALDH1A1TSHRKDM4EMEN1
SCHEMBL6705726 0.71 ALDH1A1 (0.81) GAAALDH1A1TSHRKDM4EMEN1
SCHEMBL3002928 0.70 ALDH1A1 (0.35) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL2995442 0.70 KDM4E (0.61) GAAALDH1A1TSHRKDM4EMEN1
SCHEMBL6706698 0.70 ALDH1A1 (0.79) ALDH1A1TSHRKDM4EMEN1MAPT

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