SCHEMBL5784009

SCHEMBL5784009

CC(C)(C)N(Cc1cc(-c2cccc(CN3C(=O)c4cccc(NC(=O)c5ccc(Cl)s5)c4C3=O)c2)ccc1F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ACHE P22303 1/20 0.36
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM5 P41594 4/20 0.34
PRSS12 P56730 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 3/20 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
SCHEMBL5779487 0.88 F10 (0.45) F10HDAC1HDAC4HDAC7HDAC8
SCHEMBL5784393 0.87 F10 (0.42) F10HDAC1HDAC4HDAC7HDAC8
SCHEMBL6403433 0.86 F10 (0.42) F10HDAC1HDAC4HDAC7HDAC8
Hydrochloric Acid SCHEMBL6403511 0.86 F10 (0.42) F10HDAC1HDAC4HDAC7HDAC8
SCHEMBL6403437 0.85 HDAC1 (0.40) F10HDAC1HDAC4HDAC7HDAC8
SCHEMBL5784005 0.82 F10 (0.38) F10HDAC1HDAC4HDAC7HDAC8
SCHEMBL5780091 0.78 F10 (0.48) F10HDAC1ACHEMAPTKDM4E
SCHEMBL5781766 0.77 F10 (0.50) F10HDAC1HDAC4HDAC7HDAC8
SCHEMBL5781951 0.76 F10 (0.51) F10HDAC1HDAC4HDAC7HDAC8
SCHEMBL3381035 0.76 F10 (0.51) F10HDAC1HDAC4HDAC7HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed
EP-1408962-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF Bayer HealthCare AG (DE) 2004-04-21 EP disclosed
WO-2003007942-A1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2003-01-30 WO disclosed