SCHEMBL8104833

SCHEMBL8104833

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.61
MAPT P10636 10/20 0.61
LMNA P02545 5/20 0.61
ALDH1A1 P00352 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
MEN1 O00255 10/20 0.56
KMT2A Q03164 10/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
MAPK1 P28482 2/20 0.56
MYOC Q99972 1/20 0.56
PPIA P62937 1/20 0.54
HTT P42858 3/20 0.54
XBP1 P17861 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 3/20 0.53
POLB P06746 1/20 0.53
CCR6 P51684 1/20 0.53

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
SCHEMBL8109117 0.88 MEN1 (0.64) P2RY1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7625685 0.87 MAPT (0.57) P2RY1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7622098 0.86 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8104822 0.84 MAPT (0.65) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8103162 0.83 MAPT (0.59) P2RY1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL6939752 0.83 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL11001047 0.83 MEN1 (0.65) MAPTLMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL7623586 0.83 MAPT (0.64) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL6939723 0.83 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL7626118 0.82 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2TDP1

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
EP-1042278-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF Slovakofarma, A.S. (SK) 2000-10-11 EP disclosed
WO-1999032437-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA, A.S. (SK) 1999-07-01 WO disclosed