SCHEMBL10366160

SCHEMBL10366160

C=CCOc1cccc2c(C)ccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 2/20 0.53
COPS5 Q92905 2/20 0.53
CCR1 P32246 2/20 0.46
CCR5 P51681 2/20 0.46
CCR8 P51685 2/20 0.46
HTR1A P08908 3/20 0.42
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL5239727 0.81 PSMD14 (0.59) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL1337689 0.77 HTR1A (0.61) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL16133354 0.77 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL16132603 0.76 MAPT (0.56) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL26073093 0.74 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL29035107 0.74 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL30423646 0.74 PSMD14 (0.54) PSMD14COPS5CCR1CCR5CCR8
SCHEMBL574340 0.74 MAPT (0.55) CYP3A4MAPTSMN1; SMN2MAPK1KDM4E
SCHEMBL3820470 0.74 CYP3A4 (0.57) HTR1AADRA1AALDH1A1L3MBTL1CYP3A4
SCHEMBL1812882 0.73 KDM4E (0.56) ALDH1A1L3MBTL1CYP3A4HPGDMAPT

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-0138773-B1 USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1990-08-29 EP claimed
EP-0138773-B1 USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS CIBA-GEIGY AG (CH) 1990-08-29 EP disclosed