SCHEMBL27478564

SCHEMBL27478564

[CH2]C(CO)CN(C(N)=O)c1ccccc1.[H+]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2C P18825 1/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ALOX5 P09917 1/20 0.33
OPRM1 P35372 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27495427 0.86 ALDH1A1 (0.46) HTTALDH1A1GLATSHRMEN1
SCHEMBL27478144 0.82 TSHR (0.39) HTTALDH1A1GLATSHRMEN1
SCHEMBL28647892 0.75 ALDH1A1 (0.50) HTTALDH1A1GLATSHRMEN1
SCHEMBL609514 0.75 ALDH1A1 (0.43) HTTALDH1A1GLATSHRMEN1
Hydrochloric Acid SCHEMBL27494938 0.75 ALDH1A1 (0.47) HTTALDH1A1GLATSHRMEN1
SCHEMBL1416009 0.73 ALDH1A1 (0.48) HTTALDH1A1GLATSHRMEN1
SCHEMBL10526462 0.73 ALDH1A1 (0.52) HTTALDH1A1GLATSHRMEN1
SCHEMBL1990599 0.72 ADRA2C (0.50) HTTALDH1A1GLATSHRMEN1
SCHEMBL27457628 0.71 ALDH1A1 (0.50) HTTALDH1A1GLATSHRMEN1
SCHEMBL5682214 0.70 HTT (0.49) HTTALDH1A1GLATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1192015-C Cell adhesion inhibitors BIOGEN INC (US) 2005-03-09 CN disclosed
CN-1177343-A Cell adhesion inhibitors BIOGEN INC (US) 1998-03-25 CN disclosed