SCHEMBL3364206

SCHEMBL3364206

O=C(O)C1(C(=O)O)C=CC(/N=N/c2ccccc2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
NPC1 O15118 4/20 0.34
MAPT P10636 10/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
SENP8 Q96LD8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F2 P00734 1/20 0.34
MAPK1 P28482 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSP90AA1 P07900 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 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
SCHEMBL10440152 0.80 ALDH1A1 (0.41) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL10385045 0.77 ALDH1A1 (0.38) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL28922658 0.77 ALDH1A1 (0.41) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL29107376 0.77 ALDH1A1 (0.41) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL5805988 0.77 ALDH1A1 (0.41) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL23246402 0.77 ALDH1A1 (0.41) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL8642633 0.75 MAPK1 (0.38) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL8844333 0.74 POLB (0.40) TRPA1ALDH1A1MEN1KMT2ANPC1
SCHEMBL7455809 0.74 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ANPC1MAPT
SCHEMBL7006652 0.73 ALDH1A1 (0.34) TRPA1ALDH1A1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014066668-A1 METHOD FOR RARE EARTH AND ACTINIDE ELEMENT RECOVERY, EXTRACTION AND SEPARATIONS FROM NATURAL AND RECYCLED RESOURCES RARE EARTH SALTS SEPARATION AND REFINING, LLC (US) 2014-05-01 WO disclosed
EP-2091752-B1 METHOD OF PRODUCING AN INFORMATION CARRIER AGFA GEVAERT NV (BE) 2010-10-06 EP disclosed
US-20080136160-A1 METHOD OF PRODUCING AN INFORMATION CARRIER AGFA-GEVAERT (BE) 2008-06-12 US disclosed
US-20060241225-A1 Laser activated thermochromic compositions FLEXCON COMPANY, INC. 2006-10-26 US disclosed