SCHEMBL8103094

SCHEMBL8103094

Cc1cccc(C)c1NC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.74
MEN1 O00255 8/20 0.74
MAPT P10636 4/20 0.74
NPC1 O15118 3/20 0.74
MAPK1 P28482 3/20 0.74
RAB9A P51151 2/20 0.74
NPSR1 Q6W5P4 2/20 0.74
MYOC Q99972 1/20 0.74
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
FFAR1 O14842 1/20 0.52
RAF1 P04049 1/20 0.51

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) KMT2AMEN1MAPTNPC1MAPK1
Urea SCHEMBL2156950 0.88 KMT2A (0.64) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11004478 0.86 MEN1 (1.00) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL6939617 0.85 KMT2A (0.60) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL8105065 0.85 MEN1 (0.74) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11832409 0.84 MEN1 (0.88) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11027238 0.84 MEN1 (0.88) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL6940372 0.83 MAPT (0.53) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL8110865 0.82 KMT2A (0.66) KMT2AMEN1MAPTNPC1MAPK1
SCHEMBL11830737 0.81 MEN1 (0.82) KMT2AMEN1MAPTNPC1MAPK1

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-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