SCHEMBL6039718

SCHEMBL6039718

OCC[CH]N1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.30
POLB P06746 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
SCHEMBL11646552 0.86
SCHEMBL28747406 0.85 HSD17B10 (0.31) HSD17B10
SCHEMBL3668425 0.78
SCHEMBL28863033 0.75
SCHEMBL529335 0.75
SCHEMBL11451621 0.74
SCHEMBL1447629 0.74 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL1448087 0.74 ALDH1A1 (0.35) ALDH1A1POLB
SCHEMBL1720282 0.72 HRH3 (0.46) HSD17B10MAPTALDH1A1POLB
SCHEMBL378009 0.70

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001358-A Adjust the new pyridine hepyramine compound of istone lysine demethylase (KDM) catalytic activity 东亚ST株式会社 2017-08-01 CN claimed
CN-107001358-A Adjust the new pyridine hepyramine compound of istone lysine demethylase (KDM) catalytic activity 东亚ST株式会社 2017-08-01 CN disclosed
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed