SCHEMBL6937543

SCHEMBL6937543

Cc1cc(C)cc(NC(=O)Nc2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.50
MAPT P10636 8/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 4/20 0.46
HTT P42858 2/20 0.46
CXCR1 P25024 2/20 0.46
CXCR2 P25025 2/20 0.46
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
MAPK1 P28482 3/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MYOC Q99972 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TRPV1 Q8NER1 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
SCHEMBL6936818 0.90 MEN1 (0.54) DDX3XMAPTALDH1A1LMNAHTT
SCHEMBL6939390 0.88 MEN1 (0.60) MAPTALDH1A1LMNAHTTCXCR1
SCHEMBL7625802 0.86 MAPT (0.50) MAPTALDH1A1LMNAHTTCXCR1
SCHEMBL6941536 0.86 DDX3X (0.57) DDX3XMAPTALDH1A1LMNAHTT
SCHEMBL6941597 0.85 MAPT (0.57) DDX3XMAPTALDH1A1LMNAHTT
SCHEMBL6937549 0.84 MEN1 (0.63) MAPTALDH1A1LMNAHTTMEN1
SCHEMBL6939606 0.83 KMT2A (0.56) MAPTALDH1A1LMNACXCR1CXCR2
SCHEMBL6942225 0.83 MEN1 (0.49) DDX3XMAPTALDH1A1LMNAHTT
SCHEMBL6943799 0.83 MEN1 (0.54) MAPTALDH1A1LMNAHTTCXCR1
SCHEMBL6941463 0.83 MAPT (0.61) MAPTALDH1A1LMNAHTTMEN1

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