SCHEMBL7968630

SCHEMBL7968630

Oc1c(Cl)cc(Cl)cc1C=NNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
MAPT P10636 5/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIK3CG P48736 1/20 0.42
ACHE P22303 1/20 0.41
PTPN1 P18031 1/20 0.41
POLB P06746 1/20 0.41
MCL1 Q07820 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.40

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
SCHEMBL7968626 1.00 KDM4E (0.49) KDM4EMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL5357801 0.76 KDM4E (0.54) KDM4EMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL5357804 0.76 KDM4E (0.54) KDM4EMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL5362550 0.75 KDM4E (0.59) KDM4EMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL5357627 0.75 KDM4E (0.59) KDM4EMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL14985433 0.74 MEN1 (0.57) KDM4EMAPTL3MBTL1NPC1MEN1
SCHEMBL684865 0.74 KDM4E (0.74) KDM4EMAPTL3MBTL1NPC1MEN1
SCHEMBL5358192 0.73 MAPT (0.64) KDM4EMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL5358196 0.73 MAPT (0.64) KDM4EMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL11407707 0.73 MEN1 (0.58) KDM4EMAPTALDH1A1NPC1MEN1

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-6329378-B1 HETEROCYCLIC FUNGICIDES AND ANTIGROWTH AGENTS ANADYS PHARMACEUTICALS, INC. 2001-12-11 US disclosed