SCHEMBL11067089

SCHEMBL11067089

CCCCCc1ncsn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PTGS2 P35354 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 3/20 0.31
ESR1 P03372 2/20 0.31
ADRA2A P08913 2/20 0.31
ADORA3 P0DMS8 2/20 0.31
TACR2 P21452 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
SHBG P04278 1/20 0.31
TP53 P04637 1/20 0.31
HSPD1 P10809 1/20 0.31

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
SCHEMBL87389 0.69 NAAA (0.47) KCNH2GPR84PTGS2CYP3A4TDP1
SCHEMBL1998803 0.68 ADH1B (0.35) ALDH1A1MEN1KMT2A
SCHEMBL483412 0.67 NAAA (0.50) KCNH2GPR84ALDH1A1CYP3A4TDP1
SCHEMBL306173 0.67 TDP1 (0.39) KCNH2GPR84PTGS2ALDH1A1CYP3A4
Hydrogen Sulfide SCHEMBL28858234 0.67 NAAA (0.46) KCNH2GPR84TDP1L3MBTL1KDM4E
SCHEMBL15225261 0.67 NAAA (0.50) KCNH2GPR84ALDH1A1CYP3A4TDP1
SCHEMBL7524061 0.67 NAAA (0.50) KCNH2GPR84ALDH1A1CYP3A4TDP1
SCHEMBL4591162 0.67 KCNH2 (0.43) KCNH2GPR84PTGS2ALDH1A1CYP3A4
SCHEMBL14305750 0.67 NAAA (0.50) KCNH2GPR84ALDH1A1CYP3A4TDP1
SCHEMBL9819021 0.67 NAAA (0.50) KCNH2GPR84ALDH1A1CYP3A4TDP1

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-0036081-A1 Azo dyestuffs as well as their preparation and their use in dyeing synthetic fibres BAYER AG (DE) 1981-09-23 EP claimed
EP-0027887-A2 Azodyestuffs, their preparation and use in dyeing synthetic fibres BAYER AG (DE) 1981-05-06 EP claimed
US-4424156-A Halo-substituted amino-and substituted-sulphonamido-containing azo dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
EP-0036081-A1 Azo dyestuffs as well as their preparation and their use in dyeing synthetic fibres BAYER AG (DE) 1981-09-23 EP disclosed
EP-0036081-A1 Azo dyestuffs as well as their preparation and their use in dyeing synthetic fibres BAYER AG (DE) 1981-09-23 EP disclosed
EP-0027887-A2 Azodyestuffs, their preparation and use in dyeing synthetic fibres BAYER AG (DE) 1981-05-06 EP disclosed