SCHEMBL28829347

SCHEMBL28829347

C1=NNSc2ccccc21.C1=NNSc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
MAOA P21397 1/20 0.30
CNR1 P21554 1/20 0.30
ACHE P22303 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2C P28335 1/20 0.30
PTGS2 P35354 1/20 0.30
SNCA P37840 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL45327 1.00 TRPA1 (0.41) TRPA1MEN1CYP1A2BCHEPOLB
SCHEMBL3197807 0.98 TRPA1 (0.39) TRPA1
Imidazole SCHEMBL28702589 0.83 ALDH1A1 (0.41) TRPA1
Indole SCHEMBL2232213 0.82 TRPA1 (0.52) TRPA1MAOA
Malic Acid SCHEMBL28505140 0.77 SMN1; SMN2 (0.41) CYP1A2CYP3A4TDP1
SCHEMBL392669 0.68
SCHEMBL3081408 0.65 GPR84 (0.33) MEN1CYP1A2BCHEPOLBCYP3A4
SCHEMBL5809372 0.63 GABRA1 (0.35)
SCHEMBL3634235 0.62
SCHEMBL1449552 0.60 TRPA1 (0.42) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103724432-B The antibody that the tumour of SLC34A2 (TAT211=SEQID2) is expressed in treatment and diagnosis 霍夫曼-拉罗奇有限公司 2016-06-08 CN disclosed