SCHEMBL6939723

SCHEMBL6939723

O=C(Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
NPSR1 Q6W5P4 3/20 0.56
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
MYOC Q99972 1/20 0.50
MAPK14 Q16539 1/20 0.50
PPIA P62937 1/20 0.49
CDK8 P49336 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PYGL P06737 1/20 0.47
PYGM P11217 1/20 0.47
RORC P51449 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL7622098 0.92 MAPT (0.61) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL6939752 0.91 MAPT (0.58) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8103162 0.84 MAPT (0.59) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8109117 0.84 MEN1 (0.64) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8104833 0.83 P2RY1 (0.61) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL6943396 0.83 ALDH1A1 (0.61) MAPTLMNAALDH1A1TDP1NPSR1
SCHEMBL7625685 0.83 MAPT (0.57) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL6941701 0.82 ATM (0.63) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL8104860 0.82 DDX3X (0.57) MAPTLMNAALDH1A1SMN1; SMN2TDP1
SCHEMBL6937552 0.81 ATM (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042278-B1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA AS (SK) 2003-03-05 EP disclosed
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