SCHEMBL7964010

SCHEMBL7964010

COCCOCCOCCOCCOCCOc1cccc(CSc2nc3ccccc3[nH]2)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
AR P10275 4/20 0.54
KMT2A Q03164 4/20 0.53
LMNA P02545 3/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 7/20 0.50
NPC1 O15118 6/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
PTGS2 P35354 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
TP53 P04637 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
SCHEMBL7964121 1.00 SMN1; SMN2 (0.61) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL8501939 0.84 RAB9A (0.68) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL7974431 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL7974426 0.84 SMN1; SMN2 (0.55) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL7964060 0.82 SMN1; SMN2 (0.62) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL5352269 0.81 RAB9A (0.72) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL8503121 0.81 RAB9A (0.66) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL7963873 0.80 SMN1; SMN2 (0.60) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL7964031 0.80 SMN1; SMN2 (0.60) SMN1; SMN2ARKMT2ALMNAMAPT
SCHEMBL31515434 0.80 CYP2C9 (0.74) SMN1; SMN2ARKMT2ALMNAMAPT

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-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO claimed
WO-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed