SCHEMBL8101765

SCHEMBL8101765

CSC1(SC)COc2ccc(Br)cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
BACE1 P56817 12/20 0.33
AHR P35869 3/20 0.33
BRD4 O60885 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 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
SCHEMBL16995784 0.75 BACE1 (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL28922769 0.72 BACE1 (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL30148835 0.72 BACE1 (0.41) LMNAMAPTHTTBLMBACE1
SCHEMBL30148868 0.72 BACE1 (0.38) LMNAMAPTHTTBLMBACE1
SCHEMBL1758994 0.72 LMNA (0.40) LMNAMAPTHTTBLMBACE1
SCHEMBL8111934 0.71 CTNNB1 (0.41) MAPTMEN1ALDH1A1POLBHPGD
SCHEMBL7920247 0.69 BACE1 (0.35) LMNAMAPTHTTBLMBACE1
SCHEMBL7911081 0.68 BACE1 (0.51) BACE1
SCHEMBL155111 0.67 MAPT (0.53) LMNAMAPTHTTBLMAHR
SCHEMBL29584634 0.67 MAPT (0.53) LMNAMAPTHTTBLMAHR

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-1031572-A1 PYRIDYLPYRROLE DERIVATIVES Sankyo Company Limited (JP) 2000-08-30 EP disclosed