SCHEMBL9111673

SCHEMBL9111673

[CH]=C/C=C/Cc1ncc[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
TAAR1 Q96RJ0 10/20 0.39
TERT O14746 1/20 0.37
FDPS P14324 1/20 0.35
TBXAS1 P24557 2/20 0.34
HTR1A P08908 1/20 0.34
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9111684 1.00 ALOX15 (0.40) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL263028 0.82 ALOX15 (0.41) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL9113420 0.81 TERT (0.42) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL9113425 0.81 TERT (0.42) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL2363791 0.81 ALOX15 (0.44) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL1777427 0.79
SCHEMBL9111180 0.79 ALOX15 (0.39) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL9111174 0.79 ALOX15 (0.39) ALOX15TAAR1TERTFDPSTBXAS1
SCHEMBL6158703 0.76
SCHEMBL7553563 0.76

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-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed