SCHEMBL6939715

SCHEMBL6939715

O=C(Nc1ccccn1)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.61
LMNA P02545 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
RAB9A P51151 7/20 0.50
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
STAT1 P42224 1/20 0.50
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TP53 P04637 1/20 0.47
KDR P35968 1/20 0.47
POLB P06746 1/20 0.46
SNCA P37840 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
PIM1 P11309 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45

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
SCHEMBL6939719 0.85 KDR (0.61) NPC1LMNAMEN1KMT2ARAB9A
SCHEMBL6939390 0.83 MEN1 (0.60) NPC1LMNAMEN1KMT2ARAB9A
SCHEMBL6937999 0.83 MEN1 (0.53) NPC1LMNAMEN1KMT2ARAB9A
SCHEMBL14537874 0.83 LMNA (0.64) NPC1LMNAMEN1KMT2ARAB9A
SCHEMBL6941536 0.81 DDX3X (0.57) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6939919 0.81 MAPT (0.59) NPC1LMNAMEN1KMT2ARAB9A
SCHEMBL6939606 0.81 KMT2A (0.56) NPC1LMNAMEN1KMT2ARAB9A
SCHEMBL6943767 0.80 KMT2A (0.58) NPC1MEN1KMT2ARAB9AMAPT
SCHEMBL6944030 0.79 ALOX5 (0.53) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6941248 0.78 MAPT (0.50) NPC1LMNAMEN1KMT2ARAB9A

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