SCHEMBL109519

SCHEMBL109519

C/C=C/C(=O)NCCCNC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.44
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
MAPT P10636 1/20 0.38
APP P05067 1/20 0.38
ZDHHC20 Q5W0Z9 2/20 0.37
ZDHHC2 Q9UIJ5 2/20 0.37
PYGL P06737 1/20 0.37
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL157106 0.96 APEX1 (0.48) APEX1KMT2ASMN1; SMN2ALDH1A1TAAR1
SCHEMBL113308 0.94 APEX1 (0.47) APEX1SMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL13314418 0.94 APEX1 (0.47) APEX1SMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL21610956 0.91 APEX1 (0.49) APEX1KMT2ASMN1; SMN2ALDH1A1TAAR1
SCHEMBL109577 0.87 SMN1; SMN2 (0.41) APEX1KMT2ASMN1; SMN2ALDH1A1TAAR1
SCHEMBL22187118 0.85 APEX1 (0.51) APEX1SMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL22187119 0.82 SMN1; SMN2 (0.46) APEX1KMT2ASMN1; SMN2ALDH1A1TAAR1
SCHEMBL14642043 0.82 SMN1; SMN2 (0.46) APEX1KMT2ASMN1; SMN2ALDH1A1TAAR1
SCHEMBL17151087 0.82 ALDH1A1 (0.59) KMT2AALDH1A1TAAR1LMNAHDAC3
SCHEMBL3701812 0.81 ZDHHC20 (0.52) APEX1ALDH1A1MAPTAPPZDHHC20

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