SCHEMBL7437374

SCHEMBL7437374

COc1ccc(CC#N)c(CCc2cccc([N+](=O)[O-])c2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
POLB P06746 1/20 0.42
PTPN1 P18031 1/20 0.42
SLC2A1 P11166 1/20 0.42
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL7438719 0.85 MEN1 (0.51) MAPTMEN1KMT2AALDH1A1HTR1A
Hydrochloric Acid SCHEMBL7440656 0.83 MAPT (0.49) MAPTMEN1KMT2AALDH1A1HTR1A
SCHEMBL7286452 0.83 SLC2A1 (0.45) MAPTALDH1A1HTR1AADRA1DADRA1A
SCHEMBL7283720 0.83 SLC2A1 (0.58) HTR1ASLC2A1
SCHEMBL7285255 0.82 SLC2A1 (0.47) MEN1KMT2AHTR1AADRA1DADRA1A
SCHEMBL7279399 0.81 SLC2A1 (0.49) POLBSLC2A1SMN1; SMN2HPGD
SCHEMBL10383098 0.79 SLC2A1 (0.42) MAPTMEN1KMT2AALDH1A1SLC2A1
SCHEMBL7438265 0.79 TUBB4A (0.48) SLC2A1CYP19A1
SCHEMBL7438274 0.78 SLC2A1 (0.42) MAPTPOLBSLC2A1SMN1; SMN2LMNA
SCHEMBL7285836 0.77 KDM4E (0.48) MEN1KMT2AALDH1A1PTPN1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292202-B1 2-(3,4-DIHYDROXYPHENYL ETHYL AMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL COMPOUNDS FISONS plc (GB) 1992-09-02 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
EP-0314725-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS plc (GB) 1989-05-10 EP disclosed
WO-1988009326-A1 2-(3,4-DIHYDROXYPHENYL)ETHYLAMINES, THEIR PREPARATION AND USE AS PHARMACEUTICAL FISONS PLC (GB) 1988-12-01 WO disclosed
EP-0292202-A1 2-(3,4-Dihydroxyphenyl ethyl amines, their preparation and use as pharmaceutical compounds FISONS plc (GB) 1988-11-23 EP disclosed