SCHEMBL19675246

SCHEMBL19675246

c1ccc2c(c1)NC(c1ccc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc1)O2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
KDM4E B2RXH2 4/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
POLB P06746 1/20 0.35
GAA P10253 2/20 0.33
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL18646306 0.91 KDM4E (0.41) HDAC4KDM4EATML3MBTL1KMT2A
SCHEMBL20714463 0.84 KDM4E (0.39) KDM4EATML3MBTL1KMT2AMEN1
SCHEMBL16252752 0.78 HDAC4 (0.33) HDAC4KDM4EATML3MBTL1KMT2A
SCHEMBL31149 0.78 KMT2A (0.49) KDM4EKMT2AMEN1POLBGAA
SCHEMBL25886356 0.77 KDM4E (0.31) KDM4EATML3MBTL1
SCHEMBL16252462 0.76 POLB (0.39) HDAC4KDM4EATML3MBTL1KMT2A
SCHEMBL16453822 0.75 HDAC4 (0.36) HDAC4KDM4EATML3MBTL1KMT2A
SCHEMBL18849285 0.75 EDNRA (0.34) HDAC4KDM4EKMT2AMEN1GAA
SCHEMBL20020785 0.74 HDAC4 (0.39) HDAC4KDM4EATML3MBTL1
SCHEMBL25007718 0.73 HDAC4 (0.37) HDAC4KDM4EATML3MBTL1KMT2A

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
EP-2448925-B1 EMISSIVE ARYL-HETEROARYL COMPOUNDS NITTO DENKO CORP (JP) 2017-12-06 EP disclosed