SCHEMBL4267791

SCHEMBL4267791

O=C(Nc1cccc2c1CN(Cc1ccc(I)cc1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.67
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STK33 Q9BYT3 1/20 0.41
DHPS P49366 1/20 0.39
KMT2A Q03164 3/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ACKR3 P25106 1/20 0.36

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
SCHEMBL3376377 0.91 F10 (0.74) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5781417 0.90 F10 (0.65) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5777469 0.87 F10 (0.74) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5779422 0.87 F10 (0.73) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5779855 0.87 F10 (0.73) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5784059 0.86 F10 (0.72) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL3984298 0.86 F10 (0.63) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5782623 0.85 F10 (0.76) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5783650 0.85 F10 (0.69) F10HDAC1HDAC3HDAC4HDAC7
SCHEMBL5782214 0.84 F10 (0.70) F10HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029582-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137790-A1 ISOINDOLIN-1-ONE-, ISOINDOLIN-3-ONE- AND ISOINDOLIN-1,3-DIONE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed