SCHEMBL509329

SCHEMBL509329

O=C(O)C=CN=Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 8/20 0.39

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
Azobenzene SCHEMBL475771 0.77 ALDH1A1 (0.75) TRPA1ALDH1A1MEN1KMT2ANPC1
Azobenzene SCHEMBL9435350 0.77 ALDH1A1 (0.75) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL915665 0.72 HDAC3 (0.67) TRPA1ALDH1A1HDAC3TNKSHDAC4
SCHEMBL21102461 0.71 ALDH1A1 (0.50) TRPA1ALDH1A1HDAC6MEN1KMT2A
Azobenzene SCHEMBL30414107 0.71 ALDH1A1 (0.57) TRPA1ALDH1A1MEN1KMT2ANPC1
Azobenzene SCHEMBL27865838 0.71 ALDH1A1 (0.57) TRPA1ALDH1A1MEN1KMT2ANPC1
Azobenzene SCHEMBL509328 0.71 ALDH1A1 (0.57) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL7190106 0.70 ALDH1A1 (0.55) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3078252 0.70 ALDH1A1 (0.55) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL10614068 0.69 ALDH1A1 (0.61) TRPA1ALDH1A1MEN1KMT2ANPC1

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
US-8435333-B2 Photo-switchable membrane and method UNIVERSITY OF ROCHESTER (US) 2013-05-07 US disclosed
US-20120025136-A1 PHOTO-SWITCHABLE MEMBRANE AND METHOD UNIVERSITY OF ROCHESTER (US) 2012-02-02 US disclosed