SCHEMBL8104822

SCHEMBL8104822

O=C(Nc1ccc(F)cc1)Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MAPK1 P28482 3/20 0.65
NPSR1 Q6W5P4 1/20 0.65
MYOC Q99972 1/20 0.65
PPIA P62937 1/20 0.61
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
HSPB1 P04792 1/20 0.54
RAF1 P04049 1/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 3/20 0.52
POLB P06746 3/20 0.52
GAA P10253 2/20 0.52

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 0.89 MEN1 (0.64) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL7623586 0.89 MAPT (0.64) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6943827 0.89 ABCG2 (0.68) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6941701 0.88 ATM (0.63) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8104824 0.87 MEN1 (0.85) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6940403 0.86 MAPT (0.61) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6943988 0.86 MAPT (0.59) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8110807 0.85 MEN1 (0.72) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6937552 0.85 ATM (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL8104833 0.84 P2RY1 (0.61) MAPTMEN1KMT2ANPC1RAB9A

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