SCHEMBL8003587

SCHEMBL8003587

CC(C)(C)NC(=O)O.NCCCCCBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLG P00747 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PAOX Q6QHF9 4/20 0.37
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
CPB2 Q96IY4 6/20 0.34
BLM P54132 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
CYP1A2 P05177 2/20 0.33
CTSK P43235 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL8003938 0.98 CYP2D6 (0.35) LMNATHRBKMT2AMEN1ALDH1A1
Ethylenediamine SCHEMBL6467532 0.80 KDM4E (0.36) LMNAKMT2AMEN1ALDH1A1GABRR1
Butylamine SCHEMBL3915440 0.79 ALOX15 (0.38) KMT2AMEN1ALDH1A1ALOX15CYP1A2
SCHEMBL30717989 0.74 KDM4E (0.32) ALDH1A1
SCHEMBL27936489 0.73 ALDH1A1 (0.40) LMNATHRBKMT2AMEN1ALDH1A1
SCHEMBL9253 0.72
SCHEMBL504094 0.71 ALDH1A1 (0.38) THRBALDH1A1
SCHEMBL10501371 0.71 ALDH1A1 (0.38) LMNATHRBKMT2AMEN1ALDH1A1
Carbamic Acid SCHEMBL8964476 0.70 ACHE (0.41) LMNAKMT2AMEN1ALDH1A1ALOX15
Tert-Butylamine SCHEMBL910388 0.70 EPHX1 (0.37) LMNAKMT2AMEN1ALDH1A1TSHR

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-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed