SCHEMBL6941248

SCHEMBL6941248

O=C(Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1)Nc1c(F)cccc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 3/20 0.47
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL6939919 0.92 MAPT (0.59) MAPTKMT2AMEN1LMNANPC1
SCHEMBL6939614 0.86 DDX3X (0.51) MAPTKMT2AMEN1LMNAHTT
SCHEMBL6937553 0.86 MAPT (0.47) MAPTKMT2AMEN1LMNANPC1
SCHEMBL6940437 0.84 MAPT (0.60) MAPTKMT2AMEN1LMNANPC1
SCHEMBL6941235 0.84 MAPT (0.56) MAPTKMT2AMEN1LMNANPC1
SCHEMBL6939390 0.84 MEN1 (0.60) MAPTKMT2AMEN1LMNANPC1
SCHEMBL6943799 0.84 MEN1 (0.54) MAPTKMT2AMEN1LMNANPC1
SCHEMBL6941251 0.83 KMT2A (0.59) MAPTKMT2AMEN1LMNANPC1
SCHEMBL6944030 0.82 ALOX5 (0.53) MAPTKMT2AMEN1LMNAHTT
SCHEMBL6939606 0.82 KMT2A (0.56) MAPTKMT2AMEN1LMNANPC1

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