SCHEMBL7625802

SCHEMBL7625802

O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.50
RAB9A P51151 4/20 0.50
NPSR1 Q6W5P4 3/20 0.50
NPC1 O15118 3/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
DHODH Q02127 1/20 0.49
MAPK1 P28482 2/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 2/20 0.47
BLM P54132 1/20 0.47
NOD2 Q9HC29 1/20 0.47
CXCR2 P25025 3/20 0.47
PDE7A Q13946 1/20 0.47
CXCR1 P25024 2/20 0.46

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
SCHEMBL6941463 0.90 MAPT (0.61) MAPTRAB9ANPSR1NPC1RXFP1
SCHEMBL6939606 0.88 KMT2A (0.56) MAPTRAB9ANPSR1NPC1RXFP1
SCHEMBL6939390 0.88 MEN1 (0.60) MAPTRAB9ANPSR1NPC1RXFP1
SCHEMBL6940442 0.87 MAPT (0.54) MAPTRAB9ANPSR1NPC1RXFP1
SCHEMBL6937543 0.86 DDX3X (0.50) MAPTNPSR1TDP1MEN1KMT2A
SCHEMBL6939524 0.85 MAPT (0.57) MAPTRAB9ANPSR1NPC1RXFP1
SCHEMBL7625813 0.84 MEN1 (0.62) MAPTRAB9ANPSR1NPC1MEN1
SCHEMBL6942225 0.83 MEN1 (0.49) MAPTRAB9ANPSR1NPC1RXFP1
SCHEMBL6943799 0.83 MEN1 (0.54) MAPTRAB9ANPSR1NPC1RXFP1
SCHEMBL6937999 0.83 MEN1 (0.53) MAPTRAB9ANPSR1NPC1RXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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