SCHEMBL8776804

SCHEMBL8776804

COc1cc(N=Nc2ccc(O)c3ccccc23)c(OC)cc1N=Nc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.56
KMT2A Q03164 11/20 0.56
MAPT P10636 8/20 0.56
MAPK1 P28482 6/20 0.56
POLB P06746 4/20 0.56
ALDH1A1 P00352 2/20 0.56
PKM P14618 1/20 0.56
GLO1 Q04760 2/20 0.51
L3MBTL1 Q9Y468 7/20 0.49
GAA P10253 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 5/20 0.48
TDP1 Q9NUW8 4/20 0.48
RAB9A P51151 4/20 0.48
ATM Q13315 2/20 0.48
FTO Q9C0B1 1/20 0.48
HSP90AA1 P07900 5/20 0.47
NSD2 O96028 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
SCHEMBL8776791 1.00 MEN1 (0.56) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL3284642 0.84 GLO1 (0.63) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL3284638 0.84 GLO1 (0.63) MEN1KMT2AMAPTMAPK1ALDH1A1
Ammonia Solution, Strong SCHEMBL27512903 0.83 GLO1 (0.61) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL8776876 0.81 MEN1 (0.46) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL8776878 0.81 MEN1 (0.46) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL25807355 0.81 MAPT (0.67) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL3285474 0.80 MEN1 (0.56) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL3285471 0.80 MEN1 (0.56) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL1309168 0.79 L3MBTL1 (0.63) MEN1KMT2AMAPTMAPK1ALDH1A1

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