SCHEMBL27585166

SCHEMBL27585166

Clc1ccc(C2NCCN2)cn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.51
CHRNA4 P43681 9/20 0.51
CHRNA3 P32297 7/20 0.51
CHRNB4 P30926 6/20 0.51
CHRNA7 P36544 5/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
HPGD P15428 1/20 0.47
CHRND Q07001 1/20 0.47
CHRNA2 Q15822 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL31637165 0.76 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL7193197 0.76 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1747783 0.75 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1747668 0.75 MAP4K1 (0.46) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL20401781 0.73 CHRNB2 (0.57) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL25330905 0.73 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL7999250 0.73 MAPT (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1481609 0.72 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL30847846 0.72 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL1001194 0.72 MAPT (0.33) CHRNB2CHRNA4ALDH1A1TDP1

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-1392874-A Cyclic amidine compounds SUNTORY LTD (JP) 2003-01-22 CN claimed