SCHEMBL25494140

SCHEMBL25494140

C=C/C(=C(\C=C/C)n1nnc2ccccc21)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ DGAT1 O75907 1/20 0.43
▸ GAA P10253 10/20 0.40
▸ MGAM O43451 9/20 0.40
▸ AMY1A P0DUB6 9/20 0.40
▸ SI P14410 9/20 0.40
▸ MGAM2 Q2M2H8 9/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ F2 P00734 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SLC9A1 P19634 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KCNMA1 Q12791 1/20 0.37
▸ F12 P00748 5/20 0.37
▸ MIF P14174 1/20 0.37
▸ TSHR P16473 1/20 0.36

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
SCHEMBL23591735 0.80 DGAT1 (0.46) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL22641209 0.80 DGAT1 (0.43) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL20108539 0.73 DGAT1 (0.47) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL3462909 0.72 MAPT (0.61) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL2490623 0.72 MAPT (0.61) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL21203205 0.71 DGAT1 (0.51) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL20850940 0.70 DGAT1 (0.50) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL3689328 0.68 GAA (0.58) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL15761538 0.68 FAAH (0.60) MAPTNPSR1DGAT1GAAMGAM
SCHEMBL21736909 0.68 DGAT1 (0.51) MAPTNPSR1DGAT1GAAMGAM

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
EP-3692023-B1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS 1ST BIOTHERAPEUTICS INC (KR) 2023-05-17 — — EP disclosed
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