SCHEMBL6939617

SCHEMBL6939617

Cc1cccc(C)c1NC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.60
MEN1 O00255 12/20 0.60
MAPT P10636 9/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MAPK1 P28482 4/20 0.60
HPGD P15428 3/20 0.60
HTT P42858 3/20 0.60
LMNA P02545 5/20 0.56
NPC1 O15118 6/20 0.55
ALDH1A1 P00352 4/20 0.55
RAB9A P51151 4/20 0.55
NPSR1 Q6W5P4 3/20 0.55
MYOC Q99972 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
DDX3X O00571 1/20 0.49
KDR P35968 1/20 0.48
RORC P51449 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4954984 0.92 KMT2A (0.70) KMT2AMEN1MAPTSMN1; SMN2MAPK1
Urea SCHEMBL2156950 0.88 KMT2A (0.64) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6939392 0.86 MEN1 (0.79) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6941539 0.86 DDX3X (0.64) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6936821 0.85 MEN1 (0.68) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL8103094 0.85 KMT2A (0.74) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6941251 0.85 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6937560 0.85 MEN1 (0.59) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL693083 0.84 MEN1 (0.56) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL6939614 0.83 DDX3X (0.51) KMT2AMEN1MAPTSMN1; SMN2MAPK1

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