SCHEMBL6121100

SCHEMBL6121100

COc1ccc2sc(C)[n+](CCF)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ CYP2C19 P33261 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ CYP2D6 P10635 2/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ CYP3A4 P08684 2/20 0.57
▸ GAA P10253 2/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ APOBEC3A P31941 1/20 0.56
▸ POLB P06746 3/20 0.54
▸ THRB P10828 4/20 0.42
▸ RECQL P46063 4/20 0.42
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HSD17B10 Q99714 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BACE1 P56817 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
SCHEMBL13646750 0.87 MAPT (0.66) MAPTALDH1A1KDM4ETDP1CYP2C19
SCHEMBL6120557 0.86 MAPT (0.51) MAPTALDH1A1KDM4ETDP1CYP2C19
Bromide SCHEMBL6120521 0.85 MAPT (0.64) MAPTALDH1A1KDM4ETDP1CYP2C19
SCHEMBL14403381 0.83 MAPT (0.75) MAPTALDH1A1KDM4ETDP1CYP2C19
Iodide SCHEMBL2987038 0.82 MAPT (0.78) MAPTALDH1A1KDM4ETDP1CYP2C19
SCHEMBL15242436 0.81 MAPT (0.71) MAPTALDH1A1KDM4ETDP1CYP2C19
SCHEMBL5675161 0.78 HPGD (0.66) MAPTALDH1A1KDM4ETDP1CYP2C19
SCHEMBL7251971 0.78 MAPT (0.73) MAPTALDH1A1KDM4ETDP1CYP2C19
Water SCHEMBL1046380 0.77 HPGD (0.64) MAPTALDH1A1KDM4ETDP1CYP2C19
SCHEMBL8032355 0.74 MAPT (0.97) MAPTALDH1A1KDM4ETDP1CYP2C19

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-2640427-A1 USE OF CYANINE DYES FOR THE DETECTION OF TAU FOR DIAGNOSIS OF EARLY-STAGE TAUOPATHIES GE Healthcare UK Limited (GB) 2013-09-25 — — EP disclosed
WO-2012068072-A1 USE OF CYANINE DYES FOR THE DETECTION OF TAU FOR DIAGNOSIS OF EARLY-STAGE TAUOPATHIES GE HEALTHCARE LIMITED (GB) 2012-05-24 — — WO disclosed
Send feedback