SCHEMBL6580417

SCHEMBL6580417

O=CCc1c[nH]c2ccccc12.[Na]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
MAPT P10636 4/20 0.60
CYP3A4 P08684 3/20 0.60
AHR P35869 2/20 0.60
GPR84 Q9NQS5 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP2D6 P10635 3/20 0.53
CYP2A6 P11509 2/20 0.53
HTR2A P28223 2/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
NFKB1 P19838 1/20 0.53
HTR1D P28221 1/20 0.53
HTR1B P28222 1/20 0.53
HTR2C P28335 1/20 0.53
HTR7 P34969 1/20 0.53
CTSK P43235 1/20 0.53
HTR6 P50406 1/20 0.53
CYP2A13 Q16696 1/20 0.53

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
SCHEMBL29376106 0.98 MEN1 (0.62) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL107104 0.98 MEN1 (0.62) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL6580411 0.96 MEN1 (0.60) MEN1KMT2AMAPTCYP3A4AHR
Sulfurous Acid SCHEMBL30338559 0.90 MAPT (0.53) MEN1KMT2AMAPTCYP3A4AHR
Sulfurous Acid SCHEMBL27843073 0.89 MEN1 (0.51) MEN1KMT2AMAPTCYP3A4AHR
Indole-3-Acetic Acid SCHEMBL30486253 0.86 MAPT (0.61) MEN1KMT2AMAPTCYP3A4AHR
Sulfurous Acid SCHEMBL468351 0.86 MAPT (0.50) MEN1KMT2AMAPTCYP3A4AHR
Tert-Butyl Formate SCHEMBL27652098 0.85 MEN1 (0.47) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL4620881 0.83 MAPT (0.81) MEN1KMT2AMAPTCYP3A4AHR
SCHEMBL10382799 0.82 MEN1 (0.67) MEN1KMT2AMAPTCYP3A4AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1412515-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS Genset (FR) 2004-04-28 EP disclosed
WO-2002066672-A2 TREATMENT OF CNS DISORDERS USING D-AMINO ACID OXIDASE AND D-ASPARTATE OXIDASE ANTAGONISTS GENSET S.A. (FR) 2002-08-29 WO disclosed