SCHEMBL7438274

SCHEMBL7438274

COc1ccc(CC#N)c(CCc2cccc(NS(C)(=O)=O)c2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.42
PTK2 Q05397 4/20 0.39
FABP4 P15090 2/20 0.39
HSP90AA1 P07900 3/20 0.39
HSP90AB1 P08238 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FYN P06241 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37

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
SCHEMBL7441805 0.86 FABP4 (0.45) SLC2A1PTK2FABP4KDM4ELMNA
Hydrochloric Acid SCHEMBL7447305 0.84 SLC2A1 (0.47) SLC2A1PTK2FABP4KDM4ELMNA
SCHEMBL7283720 0.80 SLC2A1 (0.58) SLC2A1
SCHEMBL7286452 0.80 SLC2A1 (0.45) SLC2A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7285255 0.79 SLC2A1 (0.47) SLC2A1POLB
SCHEMBL7439149 0.79 FABP4 (0.47) SLC2A1PTK2FABP4KDM4EMAPT
SCHEMBL7279399 0.79 SLC2A1 (0.49) SLC2A1SMN1; SMN2POLBKCNH2
SCHEMBL7437374 0.78 MAPT (0.48) SLC2A1LMNAMAPTSMN1; SMN2POLB
SCHEMBL10383098 0.77 SLC2A1 (0.42) SLC2A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL7438265 0.76 TUBB4A (0.48) SLC2A1TUBB4ATUBBTUBA3CTUBA1B

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
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