SCHEMBL2368684

SCHEMBL2368684

Clc1ccc(-c2csc3ncncc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.58
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 3/20 0.58
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
FGFR1 P11362 2/20 0.45
ALDH1A1 P00352 3/20 0.44
CSNK2A2 P19784 3/20 0.44
CSNK2B P67870 3/20 0.44
CSNK2A1 P68400 3/20 0.44
TP53 P04637 1/20 0.41
ADRB2 P07550 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL2368808 0.83 LMNA (0.55) HTTMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL14964882 0.83 FGFR1 (0.53) HTTMAPTSMN1; SMN2LMNAKDM4E
SCHEMBL30700550 0.83 DHFR (0.41) HTTMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL2369460 0.80 MAPT (0.40) HTTMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL2368931 0.80 DGAT1 (0.55) HTTMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL2368915 0.80 SMN1; SMN2 (0.38) HTTMAPTSMN1; SMN2KMT2ALMNA
SCHEMBL5376619 0.78 MAPT (0.53) HTTMAPTKMT2ALMNAFGFR1
SCHEMBL2367997 0.76 LMNA (0.49) MAPTSMN1; SMN2KMT2ALMNAFGFR1
SCHEMBL2369304 0.74 CYP2A6 (0.51) MAPTNPSR1
SCHEMBL2368945 0.74 MAPT (0.53) HTTMAPTSMN1; SMN2KMT2ALMNA

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
US-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed