SCHEMBL8103162

SCHEMBL8103162

O=C(Nc1ccc(Cl)cc1Cl)Nc1ccccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
LMNA P02545 4/20 0.59
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPSR1 Q6W5P4 3/20 0.58
ALOX12 P18054 1/20 0.58
GPR55 Q9Y2T6 1/20 0.58
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
NPC1 O15118 3/20 0.57
MAPK1 P28482 3/20 0.57
RAB9A P51151 3/20 0.57
HTT P42858 2/20 0.51
P2RY1 P47900 1/20 0.51
MYOC Q99972 1/20 0.48
PPIA P62937 1/20 0.47
RORC P51449 1/20 0.47
PKM P14618 2/20 0.47
AURKA O14965 1/20 0.47

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
SCHEMBL7622098 0.90 MAPT (0.61) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL8109117 0.86 MEN1 (0.64) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL7625685 0.85 MAPT (0.57) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL8103164 0.85 MEN1 (0.69) MAPTSMN1; SMN2LMNANPSR1KMT2A
SCHEMBL6939723 0.84 MAPT (0.58) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL6939752 0.84 MAPT (0.58) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL8104833 0.83 P2RY1 (0.61) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL6940403 0.81 MAPT (0.61) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL6943988 0.81 MAPT (0.59) MAPTSMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL7626118 0.81 MAPT (0.55) MAPTSMN1; SMN2LMNAALDH1A1TDP1

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