SCHEMBL6941463

SCHEMBL6941463

O=C(Nc1ccc(Cl)cc1)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
NPSR1 Q6W5P4 4/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MEN1 O00255 9/20 0.60
KMT2A Q03164 9/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
LMNA P02545 4/20 0.60
HTT P42858 3/20 0.57
ALDH1A1 P00352 3/20 0.54
BLM P54132 1/20 0.54
NOD2 Q9HC29 1/20 0.54
CNR1 P21554 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
PPIA P62937 1/20 0.49
APP P05067 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 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
SCHEMBL6939390 0.94 MEN1 (0.60) MAPTNPSR1NPC1RAB9ARXFP1
SCHEMBL7625802 0.90 MAPT (0.50) MAPTNPSR1NPC1RAB9ARXFP1
SCHEMBL6936818 0.88 MEN1 (0.54) MAPTNPSR1NPC1RAB9ARXFP1
SCHEMBL6943799 0.88 MEN1 (0.54) MAPTNPSR1NPC1RAB9ARXFP1
SCHEMBL6940442 0.88 MAPT (0.54) MAPTNPSR1NPC1RAB9ARXFP1
SCHEMBL6939606 0.87 KMT2A (0.56) MAPTNPSR1NPC1RAB9ARXFP1
SCHEMBL6939524 0.86 MAPT (0.57) MAPTNPSR1NPC1RAB9ARXFP1
SCHEMBL6941464 0.86 MEN1 (0.68) MAPTNPSR1NPC1RAB9AMEN1
SCHEMBL6937999 0.86 MEN1 (0.53) MAPTNPSR1NPC1RAB9ARXFP1
SCHEMBL6937509 0.85 ABCG2 (0.68) MAPTNPSR1NPC1RAB9ARXFP1

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