SCHEMBL6963679

SCHEMBL6963679

COc1cccc(CC(=O)OCc2nc(Nc3ccc(F)cc3)nc(N3CCc4ccccc4C3C)c2C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 2/20 0.35
MAPT P10636 1/20 0.35
KCNH3 Q9ULD8 1/20 0.34
FPR1 P21462 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
FPR2 P25090 1/20 0.34
GHSR Q92847 1/20 0.34
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DHFR P00374 1/20 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
SCHEMBL6964419 0.92 KLK7 (0.40) MAPTKCNH3L3MBTL1LMNA
SCHEMBL6967410 0.86 KCNH3 (0.34) MAPTKCNH3KMT2ALMNA
SCHEMBL6957770 0.85 THRB (0.35) KCNH3DHFR
SCHEMBL6954449 0.85 NOTUM (0.36) MAPTKCNH3KMT2ALMNA
SCHEMBL6967711 0.85 TRPC3 (0.37) KCNH3KMT2ALMNA
SCHEMBL6965503 0.84 KCNH3 (0.36) POLBMAPTKCNH3L3MBTL1KMT2A
SCHEMBL6962395 0.84 GAA (0.36) KCNH3L3MBTL1KMT2A
SCHEMBL6969446 0.83 GPR6 (0.37) MAPTKMT2ALMNADHFR
SCHEMBL6958886 0.83 POLB (0.38) POLBMAPTKCNH3FPR1FPR2
SCHEMBL6967941 0.83 TRPC3 (0.34) KCNH3KMT2ALMNA

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
EP-1015444-B1 PYRIMIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP LTD (KR) 2003-05-28 EP disclosed
US-6352993-B1 ANTIULCER AGENTS YUHAN CORPORATION (KR) 2002-03-05 US disclosed