SCHEMBL7323844

SCHEMBL7323844

[CH2]CCc1ccccc1SCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.34
APOBEC3G Q9HC16 1/20 0.33
DDR1 Q08345 1/20 0.33
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 2/20 0.32
RXFP1 Q9HBX9 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAP2K7 O14733 1/20 0.32
S100A4 P26447 1/20 0.32

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
SCHEMBL11200374 0.89 HPGD (0.35) HPGDAPOBEC3GDDR1ADRA2AADRA2B
SCHEMBL3027067 0.83 HPGD (0.36) HPGDAPOBEC3GDDR1ADRA2AADRA2B
SCHEMBL28252319 0.83 HPGD (0.36) HPGDAPOBEC3GDDR1ADRA2AADRA2B
SCHEMBL7464903 0.82 PTGS2 (0.46) NPC1ALDH1A1LMNAHTTS100A4
SCHEMBL3840800 0.80 TAAR1 (0.50) MEN1KMT2A
SCHEMBL14507031 0.79 GABRA1 (0.41) HPGDAPOBEC3GDDR1ALDH1A1LMNA
SCHEMBL9988198 0.77 APOBEC3G (0.37) HPGDAPOBEC3GDDR1ADRA2AADRA2B
SCHEMBL7362224 0.75 APOBEC3G (0.61) HPGDAPOBEC3GALDH1A1LMNAHTT
SCHEMBL3842830 0.75 SLC6A2 (0.46) HPGDAPOBEC3GDDR1ADRA2AADRA2B
SCHEMBL7674655 0.75 HPGD (0.39) HPGDAPOBEC3GDDR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003741-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed