SCHEMBL5801101

SCHEMBL5801101

O=C(Nc1cccc2c1CN(Cc1cccc(CNc3ccon3)c1)C2=O)C1=CC(Cl)=CCC1=S

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.51
DHPS P49366 1/20 0.35
HDAC1 Q13547 2/20 0.33
FAAH O00519 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GRM5 P41594 1/20 0.31
ALDH1A1 P00352 4/20 0.30
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TSHR P16473 1/20 0.30
CRBN Q96SW2 1/20 0.30
KDM4E B2RXH2 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL5782626 0.86 F10 (0.50) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5777471 0.85 F10 (0.48) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5780826 0.85 F10 (0.55) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5784722 0.85 F10 (0.49) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5779859 0.85 F10 (0.48) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5783180 0.85 F10 (0.48) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5782283 0.84 F10 (0.56) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5783769 0.84 F10 (0.48) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5784062 0.84 F10 (0.47) F10DHPSHDAC1HDAC3HDAC4
SCHEMBL5781280 0.83 F10 (0.46) F10DHPSHDAC1HDAC3HDAC4

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
EP-1408962-B1 SUBSTITUTED ISOINDOLES AND THE USE THEREOF BAYER HEALTHCARE AG (DE) 2006-03-15 EP disclosed