SCHEMBL8992458

SCHEMBL8992458

CCCCc1nc(CCNC(=O)OC(C)(C)C)cn1COC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.40
TLR7 Q9NYK1 5/20 0.39
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.36
BCHE P06276 1/20 0.36
NQO2 P16083 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9043834 0.76 ALDH1A1 (0.40) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL18839125 0.76 NPSR1 (0.42) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8992436 0.72 NPSR1 (0.43) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL8992439 0.72 ALDH1A1 (0.47) MEN1KMT2APOLBALDH1A1GFER
SCHEMBL27360596 0.72 HTT (0.41) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL9043069 0.70 ALDH1A1 (0.42) MEN1KMT2AALDH1A1GFERHTT
SCHEMBL585017 0.68 ALDH1A1 (0.43) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL28861530 0.67 CPB2 (0.45) MEN1KMT2AALDH1A1GFERHTT
SCHEMBL18839126 0.67 DRD2 (0.40) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL28675509 0.67 ALDH1A1 (0.39) MEN1KMT2APOLBMAPTALDH1A1

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-5510354-A HYPOTENSIVE AGENTS TANABE SEIYAKU CO., LTD. (JP) 1996-04-23 US disclosed