SCHEMBL8103149

SCHEMBL8103149

O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.67
KMT2A Q03164 9/20 0.67
MAPT P10636 6/20 0.67
NPSR1 Q6W5P4 3/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MAPK1 P28482 2/20 0.67
MYOC Q99972 1/20 0.67
ABCG2 Q9UNQ0 1/20 0.59
IGF1R P08069 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
RORC P51449 1/20 0.52
PPIA P62937 1/20 0.52
LMNA P02545 3/20 0.51
HTT P42858 3/20 0.51
TP53 P04637 1/20 0.51
CASP3 P42574 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
SCHEMBL6943829 0.88 RORC (0.52) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL6938062 0.86 ABCG2 (0.59) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL8110807 0.84 MEN1 (0.72) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL6943827 0.83 ABCG2 (0.68) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL8109093 0.83 MEN1 (0.78) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL11027238 0.82 MEN1 (0.88) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL11832409 0.82 MEN1 (0.88) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL11004478 0.82 MEN1 (1.00) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL8104826 0.82 KMT2A (0.78) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL14862017 0.82 RORC (0.54) MEN1KMT2AMAPTNPC1RAB9A

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