SCHEMBL8804349

SCHEMBL8804349

CCCCc1ccc(N=Nc2ccc(N=Nc3ccc(OCc4ccc(-c5ccc(COc6ccc(N=Nc7ccc(N=Nc8ccc(CCCC)cc8)c8ccccc78)cc6)cc5)cc4)cc3)c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 3/20 0.44
PPARA Q07869 3/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 1/20 0.43
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43
FFAR1 O14842 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL13017774 0.88 MEN1 (0.45) MEN1KMT2ABCHEPPARAPPARG
SCHEMBL21819723 0.88 MEN1 (0.45) MEN1KMT2ABCHEPPARAPPARG
SCHEMBL21525720 0.88 MEN1 (0.45) MEN1KMT2ABCHEPPARAPPARG
SCHEMBL8804353 0.88 MAPT (0.39) MEN1KMT2ABCHE
SCHEMBL15478189 0.88 MEN1 (0.56) MEN1KMT2APPARAPPARGPPARD
SCHEMBL15478190 0.86 PPARA (0.48) MEN1KMT2APPARAPPARGPPARD
SCHEMBL13427455 0.83 MEN1 (0.49) MEN1KMT2APPARAPPARGPPARD
SCHEMBL21819520 0.80 KDM4E (0.40) MEN1KMT2A
SCHEMBL21819519 0.80 KDM4E (0.40) MEN1KMT2A
SCHEMBL9908065 0.79 MEN1 (0.45) MEN1KMT2APPARAPPARGPPARD

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
JP-9143471-A None JP disclosed
JP-H09143471-A DICHROIC PIGMENT, LIQUID CRYSTAL COMPOSITION CONTAINING THE PIGMENT AND LIQUID CRYSTAL ELEMENT MITSUBISHI CHEM CORP 1997-06-03 JP disclosed