SCHEMBL6848468

SCHEMBL6848468

COc1ccc(-c2cnnn2-c2ccc(N)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.69
PTGS1 P23219 2/20 0.69
ALDH1A1 P00352 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HTT P42858 1/20 0.66
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 2/20 0.50
FLT3 P36888 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
RECQL P46063 1/20 0.49
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL28266071 0.86 PTGS1 (0.67) PTGS2PTGS1ALDH1A1SMN1; SMN2CA12
SCHEMBL410896 0.79 PTGS1 (0.59) PTGS2PTGS1ALDH1A1SMN1; SMN2CA12
SCHEMBL3760446 0.79 TSHR (0.71) PTGS2PTGS1ALDH1A1SMN1; SMN2HTT
SCHEMBL11904310 0.79 TSHR (0.71) PTGS2PTGS1ALDH1A1SMN1; SMN2HTT
SCHEMBL411117 0.78 ALDH1A1 (0.67) PTGS2PTGS1ALDH1A1SMN1; SMN2HTT
SCHEMBL406868 0.78 PTGS1 (0.57) PTGS2PTGS1ALDH1A1SMN1; SMN2CA12
SCHEMBL411865 0.77 PTGS1 (0.56) PTGS2PTGS1ALDH1A1SMN1; SMN2CA12
SCHEMBL8291470 0.77 PTGS2 (0.68) PTGS2PTGS1ALDH1A1SMN1; SMN2CA9
SCHEMBL410493 0.76 PTGS1 (0.58) PTGS2PTGS1ALDH1A1SMN1; SMN2CA12
SCHEMBL413774 0.76 CA12 (0.63) PTGS2PTGS1ALDH1A1SMN1; SMN2CA12

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
WO-2011020849-A1 CYTOHESIN INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS UNIVERSITÄT (DE) 2011-02-24 WO disclosed
EP-2286808-A1 Cytohesin inhibitors Rheinische Friedrich-Wilhelms Universität (DE) 2011-02-23 EP disclosed