SCHEMBL8225166

SCHEMBL8225166

O=C(Nc1cccc2c1CN(Cc1cccc(N3CCCC(CO)C3=O)c1)C2=O)c1ccc(Cl)s1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.58
ACKR3 P25106 2/20 0.39
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
F2 P00734 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32

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
SCHEMBL3979465 0.91 F10 (0.60) F10ACKR3HDAC1HDAC3HDAC4
SCHEMBL8233573 0.90 F10 (0.59) F10ACKR3HDAC1HDAC3HDAC4
SCHEMBL8230409 0.88 F10 (0.44) F10ACKR3HDAC1
SCHEMBL8230162 0.88 F10 (0.56) F10ACKR3HDAC1ALDH1A1HPGD
SCHEMBL8226339 0.86 F10 (0.62) F10ACKR3HDAC1HDAC3HDAC4
SCHEMBL8231708 0.84 F10 (0.59) F10ACKR3HDAC1HDAC3HDAC4
SCHEMBL8230158 0.84 F10 (0.61) F10ACKR3HDAC1HDAC3HDAC4
SCHEMBL8230046 0.83 F10 (0.61) F10ACKR3HDAC1HDAC3HDAC4
SCHEMBL8230048 0.83 F10 (0.52) F10ACKR3HDAC1HDAC3HDAC4
SCHEMBL8225992 0.82 F10 (0.61) F10ACKR3HDAC1HDAC3HDAC4

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
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