SCHEMBL6937560

SCHEMBL6937560

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.59
KMT2A Q03164 11/20 0.59
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HTT P42858 4/20 0.56
HPGD P15428 3/20 0.56
MAPK1 P28482 3/20 0.56
LMNA P02545 4/20 0.53
NPSR1 Q6W5P4 3/20 0.52
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MYOC Q99972 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDR P35968 1/20 0.51
GAA P10253 1/20 0.48
XBP1 P17861 1/20 0.48
CCR6 P51684 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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 0.86 MEN1 (0.58) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6939392 0.86 MEN1 (0.79) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6939610 0.86 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941464 0.85 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL8105065 0.85 MEN1 (0.74) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6939617 0.85 KMT2A (0.60) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941251 0.85 KMT2A (0.59) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6940443 0.83 MEN1 (0.62) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6937553 0.83 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL7625813 0.82 MEN1 (0.62) MEN1KMT2AMAPTSMN1; SMN2HTT

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