SCHEMBL8105065

SCHEMBL8105065

O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.74
KMT2A Q03164 10/20 0.74
MAPT P10636 5/20 0.74
NPSR1 Q6W5P4 4/20 0.74
RAB9A P51151 3/20 0.74
NPC1 O15118 3/20 0.74
MAPK1 P28482 2/20 0.74
MYOC Q99972 1/20 0.74
LMNA P02545 3/20 0.56
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
GAA P10253 2/20 0.52
PKM P14618 1/20 0.52
FFAR1 O14842 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 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
SCHEMBL11004478 0.86 MEN1 (1.00) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL8104826 0.86 KMT2A (0.78) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL8109120 0.85 MEN1 (0.85) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL11007267 0.85 MEN1 (0.85) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL8103094 0.85 KMT2A (0.74) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL6937560 0.85 MEN1 (0.59) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL11832409 0.84 MEN1 (0.88) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL11027238 0.84 MEN1 (0.88) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL11001115 0.83 MEN1 (0.76) MEN1KMT2AMAPTNPSR1RAB9A
SCHEMBL6939752 0.83 MAPT (0.58) MEN1KMT2AMAPTNPSR1RAB9A

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