SCHEMBL6939610

SCHEMBL6939610

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.58
MAPK1 P28482 4/20 0.58
KMT2A Q03164 11/20 0.57
MEN1 O00255 10/20 0.57
LMNA P02545 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
POLB P06746 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL7623004 0.90 MEN1 (0.58) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL6939606 0.88 KMT2A (0.56) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL6937560 0.86 MEN1 (0.59) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL6939527 0.85 KMT2A (0.67) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL6939392 0.85 MEN1 (0.79) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL6939929 0.85 MAPT (0.62) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL6941539 0.85 DDX3X (0.64) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL8104826 0.85 KMT2A (0.78) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL6939390 0.85 MEN1 (0.60) MAPTMAPK1KMT2AMEN1LMNA
SCHEMBL6941463 0.84 MAPT (0.61) MAPTMAPK1KMT2AMEN1LMNA

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 2 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