SCHEMBL27367787

SCHEMBL27367787

NC(=O)CC(=O)Nc1ncccn1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
HTT P42858 1/20 0.66
GAA P10253 3/20 0.51
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
P2RX7 Q99572 1/20 0.42
KDR P35968 1/20 0.40
AURKB Q96GD4 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL19095331 0.81 LMNA (0.68) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL19308408 0.79 LMNA (1.00) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL1430518 0.78 HTT (0.64) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL1594378 0.78 LMNA (0.52) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL4409751 0.77 LMNA (0.68) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL8320889 0.76 LMNA (0.50) LMNAHTTGAANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL29102678 0.76 LMNA (0.50) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL19154145 0.73 LMNA (0.63) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL16353649 0.73 SHMT2 (0.58) LMNAHTTGAANPSR1ALDH1A1
SCHEMBL23566413 0.72 LMNA (0.56) LMNAHTTGAANPSR1ALDH1A1

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
CN-1051733-A Acyl-CoA: cholesteryl transferase inhibitor WARNER LAMBERT CO (US) 1991-05-29 CN disclosed