SCHEMBL7868787

SCHEMBL7868787

COC=C(C(=O)OC)c1ccccc1C(C)ON=CC(=NOC)c1ccc(Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
HIF1A Q16665 1/20 0.31
F10 P00742 1/20 0.30
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL7863552 0.87 ALDH1A1 (0.34) SMN1; SMN2KDM4EL3MBTL1MAPTHPGD
SCHEMBL8443188 0.84 PTGER4 (0.33) SMN1; SMN2KDM4ETDP1L3MBTL1HIF1A
SCHEMBL7498420 0.84 SMN1; SMN2 (0.36) SMN1; SMN2KDM4ETDP1L3MBTL1MAPT
SCHEMBL7130516 0.84 HIF1A (0.42) SMN1; SMN2KDM4EL3MBTL1MAPTNPC1
SCHEMBL7742072 0.83 ATM (0.37) TDP1L3MBTL1MAPTHIF1ALMNA
SCHEMBL8030454 0.83 L3MBTL1 (0.37) SMN1; SMN2KDM4ETDP1L3MBTL1NPC1
SCHEMBL7744894 0.83 MAOA (0.32) SMN1; SMN2KDM4EMAPTNPC1RAB9A
SCHEMBL7744876 0.83 MAPT (0.35) SMN1; SMN2KDM4ETDP1L3MBTL1MAPT
SCHEMBL8440483 0.81 KDM4E (0.32) SMN1; SMN2KDM4ETDP1L3MBTL1HIF1A
SCHEMBL7742973 0.81 NPC1 (0.39) SMN1; SMN2KDM4ETDP1L3MBTL1MAPT

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-6313344-B1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-06 US disclosed