SCHEMBL8776876

SCHEMBL8776876

COc1cc(/N=N/c2ccc(O)c3ccccc23)c(OC)cc1/N=N/c1cccc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.46
KMT2A Q03164 12/20 0.46
NPC1 O15118 4/20 0.46
HSP90AA1 P07900 3/20 0.46
NSD2 O96028 1/20 0.46
CASP6 P55212 1/20 0.46
MAPT P10636 11/20 0.46
TDP1 Q9NUW8 7/20 0.46
MAPK1 P28482 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
HTT P42858 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MMP14 P50281 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
OPRK1 P41145 1/20 0.43
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 4/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL8776878 1.00 MEN1 (0.46) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL28543500 0.88 KMT2A (0.52) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL8776804 0.81 MEN1 (0.56) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL8776791 0.81 MEN1 (0.56) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL31150728 0.77 KMT2A (0.65) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL11955355 0.77 KMT2A (0.65) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL31150889 0.77 KMT2A (0.65) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL27157136 0.75 IDO1 (0.59) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL7201502 0.72 IDO1 (0.65) MEN1KMT2ANPC1HSP90AA1NSD2
SCHEMBL965822 0.69 THRB (0.65) MEN1KMT2ANPC1HSP90AA1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584915-B1 Base extractable petroleum markers MORTON INT INC (US) 1997-12-10 EP disclosed
EP-0584915-A1 Base extractable petroleum markers MORTON INTERNATIONAL, INC. (US) 1994-03-02 EP disclosed
US-5252106-A Base extractable petroleum markers MORTON INTERNATIONAL, INC. (US) 1993-10-12 US disclosed