SCHEMBL8943613

SCHEMBL8943613

COc1ccc(Nc2ccc(Oc3ccc(-c4ccc(Oc5ccc(Nc6ccc(OC)cc6)cc5Nc5ccc(OC)cc5)cc4)cc3)c(Nc3ccc(OC)cc3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
MAPT P10636 5/20 0.53
GAA P10253 3/20 0.53
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 2/20 0.53
THRB P10828 2/20 0.53
MAPK1 P28482 2/20 0.53
RECQL P46063 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FGFR2 P21802 2/20 0.47
NR4A1 P22736 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
DYRK1A Q13627 1/20 0.45
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43

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
SCHEMBL8943616 0.95 MAPT (0.59) RAB9AMAPTGAANPC1KDM4E
SCHEMBL8944048 0.88 AKR1C3 (0.40) MAPTGAATDP1L3MBTL1FGFR2
SCHEMBL8943701 0.86 FGFR2 (0.44) RAB9AMAPTGAANPC1KDM4E
SCHEMBL8943958 0.86 RAB9A (0.52) RAB9AMAPTGAANPC1KDM4E
SCHEMBL8943647 0.82 AKR1C3 (0.43) RAB9AMAPTGAANPC1KDM4E
SCHEMBL8944031 0.81 MAPT (0.45) RAB9AMAPTGAANPC1KDM4E
SCHEMBL8944279 0.79 MAPT (0.55) RAB9AMAPTGAANPC1KDM4E
SCHEMBL8943581 0.79 MAPT (0.55) RAB9AMAPTGAANPC1KDM4E
SCHEMBL12648780 0.79 MAPT (0.85) RAB9AMAPTGAANPC1KDM4E
SCHEMBL1921511 0.79 MAPT (0.85) RAB9AMAPTGAANPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480765-A PRESSURE AND HEAT SENSITIVE PAPER, IMPROVED PHOTOSTABILITY BY ADDITION OF TRIARYLAMINE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1996-01-02 US disclosed