SCHEMBL5779859

SCHEMBL5779859

O=C(Nc1cccc2c1CN(Cc1cccc(C[SiH3])c1)C2=O)C1=CC(Cl)=CCC1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
DHPS P49366 2/20 0.38
HDAC1 Q13547 4/20 0.37
HDAC3 O15379 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
LMNA P02545 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 4/20 0.32
LIPG Q9Y5X9 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
POLB P06746 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
SCHEMBL5777471 0.92 F10 (0.48) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5783180 0.92 F10 (0.48) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5784062 0.91 F10 (0.47) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5782626 0.90 F10 (0.50) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5781280 0.89 F10 (0.46) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5782217 0.89 F10 (0.46) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5784722 0.89 F10 (0.49) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5783655 0.88 F10 (0.45) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5783769 0.88 F10 (0.48) F10DHPSHDAC1HDAC3HDAC7
SCHEMBL5779074 0.88 F10 (0.45) F10DHPSHDAC1HDAC3HDAC7

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