SCHEMBL6941701

SCHEMBL6941701

O=C(Nc1ccccc1F)Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.63
MAPT P10636 8/20 0.59
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
LMNA P02545 4/20 0.59
HTT P42858 4/20 0.59
MAPK1 P28482 2/20 0.59
NPSR1 Q6W5P4 2/20 0.53
MYOC Q99972 1/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PPIA P62937 1/20 0.52
HSPB1 P04792 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RORC P51449 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL6937552 0.92 ATM (0.54) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL6943988 0.91 MAPT (0.59) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL6940403 0.91 MAPT (0.61) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL8104822 0.88 MAPT (0.65) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL8110807 0.88 MEN1 (0.72) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL8104860 0.85 DDX3X (0.57) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL7622098 0.85 MAPT (0.61) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL6943829 0.84 RORC (0.52) ATMMAPTKMT2AMEN1RAB9A
SCHEMBL6940372 0.82 MAPT (0.53) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL8109117 0.82 MEN1 (0.64) MAPTKMT2AMEN1RAB9ANPC1

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 4 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
US-6444691-B1 ANTICHOLESTEROL AGENTS SOLVAKOFARMA, A.S. (SK) 2002-09-03 US 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