SCHEMBL109577

SCHEMBL109577

C/C=C/C(=O)NCCNC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
APEX1 P27695 1/20 0.40
ALDH1A1 P00352 1/20 0.34
CNR2 P34972 7/20 0.33
CNR1 P21554 5/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
PYGL P06737 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TGM2 P21980 1/20 0.33
LY96 Q9Y6Y9 1/20 0.33
KMT2A Q03164 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
SCHEMBL22187119 0.91 SMN1; SMN2 (0.46) SMN1; SMN2APEX1ALDH1A1CNR2CNR1
SCHEMBL14642043 0.91 SMN1; SMN2 (0.46) SMN1; SMN2APEX1ALDH1A1CNR2CNR1
SCHEMBL157106 0.87 APEX1 (0.48) SMN1; SMN2APEX1ALDH1A1PYGLTAAR1
SCHEMBL109519 0.87 APEX1 (0.44) SMN1; SMN2APEX1ALDH1A1PYGLTAAR1
SCHEMBL13314418 0.85 APEX1 (0.47) SMN1; SMN2APEX1ALDH1A1PYGLTAAR1
SCHEMBL113308 0.85 APEX1 (0.47) SMN1; SMN2APEX1ALDH1A1PYGLTAAR1
SCHEMBL24642923 0.82 APEX1 (0.43) SMN1; SMN2APEX1ALDH1A1CNR2CNR1
SCHEMBL21610956 0.81 APEX1 (0.49) SMN1; SMN2APEX1ALDH1A1PYGLTAAR1
SCHEMBL22187118 0.79 APEX1 (0.51) SMN1; SMN2APEX1ALDH1A1PYGLTAAR1
SCHEMBL19696572 0.79

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
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed