SCHEMBL6943767

SCHEMBL6943767

O=C(Nc1cccnc1)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.52
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
AHR P35869 1/20 0.49
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDR P35968 1/20 0.45
CXCR1 P25024 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
SCHEMBL6937999 0.88 MEN1 (0.53) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL6943770 0.86 KMT2A (0.65) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6939390 0.86 MEN1 (0.60) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL13265690 0.83 CYP11B2 (0.63) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL13265950 0.83 ALDH1A1 (0.61) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6936818 0.81 MEN1 (0.54) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL6943799 0.81 MEN1 (0.54) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL6941463 0.81 MAPT (0.61) KMT2AMEN1ALDH1A1HTTSMN1; SMN2
SCHEMBL8373850 0.81 KMT2A (0.75) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6939715 0.80 NPC1 (0.61) KMT2AMEN1ALDH1A1POLBSMN1; SMN2

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