SCHEMBL6941251

SCHEMBL6941251

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 0.59
MEN1 O00255 13/20 0.59
MAPT P10636 11/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
HTT P42858 6/20 0.56
HPGD P15428 3/20 0.56
MAPK1 P28482 3/20 0.56
NPC1 O15118 5/20 0.53
RAB9A P51151 3/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
LMNA P02545 5/20 0.53
ALDH1A1 P00352 3/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MYOC Q99972 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50

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 0.86 MEN1 (0.79) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6939929 0.86 MAPT (0.62) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6943802 0.85 MEN1 (0.68) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6937560 0.85 MEN1 (0.59) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6939617 0.85 KMT2A (0.60) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6941248 0.83 MAPT (0.50) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL693083 0.81 MEN1 (0.56) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6936821 0.80 MEN1 (0.68) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6941464 0.80 MEN1 (0.68) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL6941240 0.79 MEN1 (0.65) KMT2AMEN1MAPTSMN1; 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 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