SCHEMBL9844353

SCHEMBL9844353

O=C(Nc1cccnc1O)c1cccnc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 3/20 0.60
HPGD P15428 2/20 0.60
GAA P10253 2/20 0.60
KDM4E B2RXH2 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.52
KDR P35968 1/20 0.51
MDM4 O15151 1/20 0.50
MITF O75030 1/20 0.50
MDM2 Q00987 1/20 0.50
ATM Q13315 1/20 0.50
GPR35 Q9HC97 1/20 0.50

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
SCHEMBL8299753 0.89 TDP1 (0.68) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL1367306 0.86 TDP1 (0.65) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL29777391 0.84 SMN1; SMN2 (0.68) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL29777389 0.84 SMN1; SMN2 (0.68) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL975125 0.84 SMN1; SMN2 (0.68) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL28035894 0.83 TDP1 (0.65) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL971803 0.82 TDP1 (0.64) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL27782344 0.81 KDR (0.78) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL27724858 0.81 SMN1; SMN2 (0.60) TDP1SMN1; SMN2HTTHPGDGAA
SCHEMBL1366221 0.80 GAA (0.59) TDP1SMN1; SMN2HTTHPGDGAA

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-0415304-A2 Dipyrido[3,2-b:2',3'-e][1,4]oxazepin (and thiazepin)-6(5H)-ones and their use in the prevention or treatment of aids BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-03-06 EP disclosed