SCHEMBL14675429

SCHEMBL14675429

C=COc1cc(OC=C)c(N)cc1N

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
G6PD P11413 1/20 0.37
ALOX15 P16050 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTK2 Q05397 1/20 0.35
GAA P10253 1/20 0.33
POLB P06746 1/20 0.30

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
SCHEMBL5544557 0.73 CYP3A4 (0.46) L3MBTL1ALDH1A1MAPTTHRBALOX15
SCHEMBL12168441 0.70 ALDH1A1 (0.50) L3MBTL1KDM4EMEN1ALDH1A1MAPT
SCHEMBL16641117 0.69
SCHEMBL30696161 0.63 POLB (0.42) L3MBTL1KDM4EMEN1USP2ALDH1A1
SCHEMBL16641131 0.63 NQO1 (0.30)
SCHEMBL3113317 0.63 ADRA2B (0.43) KDM4EALDH1A1KMT2AHSD17B10GAA
SCHEMBL6847068 0.63 PTK2 (0.41) L3MBTL1KDM4EMEN1USP2ALDH1A1
SCHEMBL29592755 0.63 ADRA2B (0.43) KDM4EALDH1A1KMT2AHSD17B10GAA
SCHEMBL17063052 0.62 NQO1 (0.38) KDM4EMEN1ALDH1A1MAPTALOX15
SCHEMBL29591601 0.62 NQO1 (0.38) KDM4EMEN1ALDH1A1MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765235-B2 Photoaligning material ROLIC AG (CH) 2017-09-19 US disclosed
EP-2739601-B1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2016-03-16 EP disclosed
US-20140162076-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2014-06-12 US disclosed
EP-2739601-A1 PHOTOALIGNING MATERIAL Rolic AG (CH) 2014-06-11 EP disclosed
WO-2013017467-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2013-02-07 WO disclosed