SCHEMBL9003687

SCHEMBL9003687

N#CC(=Cc1ccc(N)cc1)c1ccc(O)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.83
ESR2 Q92731 3/20 0.83
NQO2 P16083 1/20 0.65
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
THRB P10828 2/20 0.52
CISD1 Q9NZ45 2/20 0.52
APP P05067 1/20 0.50
EGFR P00533 2/20 0.49
IGF1R P08069 1/20 0.49
IGF2R P11717 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 3/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 2/20 0.46

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
SCHEMBL8398204 1.00 ESR1 (0.83) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL9003682 1.00 ESR1 (0.83) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL8398202 1.00 ESR1 (0.83) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL7047978 0.93 ESR1 (0.69) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL10880900 0.93 ESR1 (0.69) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL10880909 0.93 ESR1 (0.69) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL10880906 0.93 ESR1 (0.69) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL7047976 0.93 ESR1 (0.69) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL10899749 0.93 ESR1 (0.69) ESR1ESR2NQO2MEN1KMT2A
SCHEMBL901037 0.91 ESR1 (1.00) ESR1ESR2NQO2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5491201-A HEAT/CHEMICAL RESISTANCE; HIGH MECHANICAL STRENGTH THE DOW CHEMICAL COMPANY (US) 1996-02-13 US disclosed
US-5338828-A Mesogenic cyclic imino ether-containing compositions and polymerization products thereof THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
US-5281675-A Liquid crystal polymers THE DOW CHEMICAL COMPANY (US) 1994-01-25 US disclosed