SCHEMBL6943829

SCHEMBL6943829

O=C(Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MYOC Q99972 1/20 0.50
PPIA P62937 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
P2RY1 P47900 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.46
PYGL P06737 1/20 0.44
PYGM P11217 1/20 0.44

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
SCHEMBL8103149 0.88 MEN1 (0.67) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6943827 0.85 ABCG2 (0.68) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6941701 0.84 ATM (0.63) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6941542 0.83 TRPV1 (0.63) MAPTMEN1KMT2ALMNANPC1
SCHEMBL8104822 0.82 MAPT (0.65) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7622098 0.82 MAPT (0.61) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL8104860 0.82 DDX3X (0.57) RORCMAPTALDH1A1MEN1KMT2A
SCHEMBL6937552 0.81 ATM (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL6940403 0.81 MAPT (0.61) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL17978450 0.81 HTT (0.60) RORCMAPTALDH1A1MEN1KMT2A

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