SCHEMBL6919274

SCHEMBL6919274

CN1CCc2nc3ccccc3c(Cl)c2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
BCHE P06276 5/20 0.44
ACHE P22303 5/20 0.44
CYP2D6 P10635 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CHRM2 P08172 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
SLC6A2 P23975 2/20 0.44

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
SCHEMBL10573468 0.86 ACHE (0.49) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL9382303 0.85 MEN1 (0.65) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL10575185 0.83 ACHE (0.49) ALDH1A1KDM4EMAPTCYP1A2CYP2C19
SCHEMBL16210432 0.81 PDE5A (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL21940782 0.80 MEN1 (0.46) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL21939917 0.80 CHRNA7 (0.43) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL16401275 0.80 BAZ2B (0.48) MAPTLMNA
SCHEMBL24931199 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL30239064 0.79 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL6606481 0.79 KMT2A (0.76) MEN1KMT2AALDH1A1KDM4EMAPT

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
WO-2004067513-A1 ANTAGONISTS FOR ALPHA-2 ADRENOCEPTORS OY JUVANTIA PHARMA LTD (FI) 2004-08-12 WO disclosed
US-5602142-A PROMOTER FOR IMPROVING RADIOSENSITIZATION AND CHEMOSENSITIZATION EVANSTON HOSPITAL CORPORATION (US) 1997-02-11 US disclosed