SCHEMBL6941597

SCHEMBL6941597

Cc1ccc(NC(=O)Nc2ccccc2Sc2ccc([N+](=O)[O-])cc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
LMNA P02545 4/20 0.57
HTT P42858 3/20 0.57
DDX3X O00571 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PKM P14618 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL6941536 0.90 DDX3X (0.57) MAPTLMNAHTTDDX3XMEN1
SCHEMBL6936818 0.86 MEN1 (0.54) MAPTLMNAHTTDDX3XMEN1
SCHEMBL6937543 0.85 DDX3X (0.50) MAPTLMNAHTTDDX3XTRPV1
SCHEMBL6941599 0.85 MAPT (0.62) MAPTLMNAHTTDDX3XTRPV1
SCHEMBL6939614 0.84 DDX3X (0.51) MAPTLMNAHTTDDX3XTRPV1
SCHEMBL6939390 0.82 MEN1 (0.60) MAPTLMNAHTTMEN1KMT2A
SCHEMBL6939919 0.80 MAPT (0.59) MAPTLMNAHTTMEN1KMT2A
SCHEMBL6939606 0.80 KMT2A (0.56) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL6940437 0.80 MAPT (0.60) MAPTLMNAHTTTRPV1MEN1
SCHEMBL6939524 0.80 MAPT (0.57) MAPTLMNAHTTTRPV1MEN1

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