SCHEMBL9018972

SCHEMBL9018972

COC(CC(C#N)C(=O)c1ccccc1)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.39
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38
TSHR P16473 1/20 0.38
MDM2 Q00987 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL9019032 0.85 RAPGEF3 (0.40) NPC1MAPTTSHRALDH1A1L3MBTL1
SCHEMBL9019110 0.80 ALKBH5 (0.46) NPC1MAPTPGRADRA2AADRA2B
SCHEMBL31468333 0.78 PGR (0.47) NPC1MAPTPGRADRA2AADRA2B
SCHEMBL24164541 0.78 KLKB1 (0.43) ALDH1A1TDP1L3MBTL1POLB
SCHEMBL24164406 0.77 ROCK2 (0.34) ALDH1A1HTT
SCHEMBL11147694 0.75 ALKBH5 (0.43) NPC1MAPTPGRADRA2AADRA2B
SCHEMBL741499 0.75 TSHR (0.44) NPC1MAPTPGRADRA2AADRA2B
SCHEMBL24164538 0.75 GRN (0.40) ALDH1A1L3MBTL1HTTRAB9ALMNA
SCHEMBL9431440 0.74 LMNA (0.51) NPC1MAPTTSHRALDH1A1CYP3A4
SCHEMBL7030603 0.73 MDM2 (0.59) MAPTMDM2ALDH1A1KMT2ARAB9A

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-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP claimed
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP disclosed
US-5399716-A N-oxygenated arylpyrrole insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1995-03-21 US disclosed
US-5347016-A N-oxygenated arylpyrrole intermediates for insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1994-09-13 US disclosed
US-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
EP-0434940-A2 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed