SCHEMBL6943802

SCHEMBL6943802

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 16/20 0.68
KMT2A Q03164 16/20 0.68
MAPT P10636 9/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
HTT P42858 5/20 0.63
HPGD P15428 4/20 0.63
MAPK1 P28482 3/20 0.63
LMNA P02545 5/20 0.59
ALDH1A1 P00352 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 1/20 0.57
MYOC Q99972 1/20 0.57
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
GAA P10253 2/20 0.55
PKM P14618 1/20 0.55
ALOX12 P18054 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
CYP1A2 P05177 1/20 0.52

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
SCHEMBL6939392 0.92 MEN1 (0.79) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6940440 0.87 MEN1 (0.67) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941240 0.87 MEN1 (0.65) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6943799 0.86 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941464 0.85 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6936821 0.85 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6941251 0.85 KMT2A (0.59) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6937512 0.85 ABCG2 (0.63) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6938002 0.84 MEN1 (0.66) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6939929 0.84 MAPT (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