SCHEMBL8804353

SCHEMBL8804353

CCCCc1ccc(N=Nc2ccc(N=Nc3ccccc3OCc3ccc(-c4ccc(COc5ccccc5N=Nc5ccc(N=Nc6ccc(CCCC)cc6)c6ccccc56)cc4)cc3)c3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
CTSV O60911 2/20 0.37
CTSL P07711 2/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
NSD2 O96028 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CASP6 P55212 1/20 0.35
HSD11B1 P28845 1/20 0.34
RARB P10826 1/20 0.34
ALPL P05186 1/20 0.34
ALPG P10696 1/20 0.34
PTPN1 P18031 2/20 0.33
DHODH Q02127 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
BCHE P06276 2/20 0.33

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
SCHEMBL8804349 0.88 MEN1 (0.44) MEN1KMT2ABCHE
SCHEMBL15478189 0.78 MEN1 (0.56) MAPTMEN1KMT2AHSP90AA1
SCHEMBL10797992 0.78 CASP3 (0.43) MAPTCTSVCTSLMEN1KMT2A
SCHEMBL21819519 0.78 KDM4E (0.40) MAPTCTSVCTSLMEN1KMT2A
SCHEMBL21819520 0.78 KDM4E (0.40) MAPTCTSVCTSLMEN1KMT2A
SCHEMBL21819723 0.77 MEN1 (0.45) MEN1KMT2ABCHE
SCHEMBL21525720 0.77 MEN1 (0.45) MEN1KMT2ABCHE
SCHEMBL13017774 0.77 MEN1 (0.45) MEN1KMT2ABCHE
SCHEMBL15478190 0.77 PPARA (0.48) MEN1KMT2A
SCHEMBL17323000 0.76 MEN1 (0.40) MAPTCTSVCTSLMEN1KMT2A

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