SCHEMBL8104860

SCHEMBL8104860

Cc1ccccc1NC(=O)Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.57
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
MAPT P10636 7/20 0.53
NPSR1 Q6W5P4 3/20 0.53
MAPK1 P28482 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MYOC Q99972 1/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PPIA P62937 1/20 0.52
POLB P06746 2/20 0.52
GAA P10253 2/20 0.51

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
SCHEMBL6940372 0.92 MAPT (0.53) DDX3XMEN1KMT2AMAPTNPSR1
SCHEMBL7622067 0.90 MAPT (0.57) DDX3XMEN1KMT2AMAPTNPSR1
SCHEMBL7623586 0.87 MAPT (0.64) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL7626118 0.86 MAPT (0.55) DDX3XMEN1KMT2AMAPTNPSR1
SCHEMBL7622098 0.85 MAPT (0.61) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL6941701 0.85 ATM (0.63) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL8104822 0.83 MAPT (0.65) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL6937552 0.82 ATM (0.54) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL8109117 0.82 MEN1 (0.64) MEN1KMT2AMAPTNPSR1MAPK1
SCHEMBL6943829 0.82 RORC (0.52) MEN1KMT2AMAPTNPSR1MAPK1

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