SCHEMBL3915359

SCHEMBL3915359

O=C(Nc1cccc2c1C(=O)N(Cc1cccc(N3CCCC(O)C3=O)c1)C2)c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.46
ACKR3 P25106 1/20 0.40
PREP P48147 5/20 0.39
PARP1 P09874 2/20 0.37
NR1I2 O75469 1/20 0.36
UGCG Q16739 1/20 0.36
HDAC1 Q13547 1/20 0.35

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
SCHEMBL3987546 0.93 F10 (0.42) F10ACKR3PREPNR1I2UGCG
SCHEMBL8230409 0.91 F10 (0.44) F10ACKR3PREPPARP1NR1I2
SCHEMBL8234420 0.89 F10 (0.43) F10ACKR3PREPPARP1NR1I2
SCHEMBL3979465 0.88 F10 (0.60) F10ACKR3HDAC1
SCHEMBL8230000 0.87 F10 (0.47) F10ACKR3PREPPARP1HDAC1
SCHEMBL8230871 0.85 F10 (0.46) F10ACKR3PREPPARP1NR1I2
SCHEMBL8232066 0.85 F10 (0.43) F10ACKR3HDAC1
SCHEMBL8230631 0.84 F10 (0.45) F10ACKR3PREPPARP1HDAC1
SCHEMBL8230012 0.84 F10 (0.46) F10ACKR3PREPPARP1NR1I2
SCHEMBL8230473 0.83 F10 (0.47) F10ACKR3PREPPARP1HDAC1

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