SCHEMBL3979217

SCHEMBL3979217

COc1ccc(CN2C(=O)c3c(NC(=O)c4ccc(Cl)s4)cccc3C2O)cc1I

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 7/20 0.39
F10 P00742 2/20 0.38
MEN1 O00255 5/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 4/20 0.35
HSD17B10 Q99714 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
CCR6 P51684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR4 P51679 1/20 0.34
ACKR3 P25106 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL8229933 0.92 CCR4 (0.35) HPGDSMN1; SMN2ALDH1A1KMT2AF10
SCHEMBL3982271 0.87 F10 (0.41) HPGDSMN1; SMN2ALDH1A1KMT2AF10
SCHEMBL3377662 0.86 HPGD (0.44) HPGDSMN1; SMN2ALDH1A1KMT2AF10
SCHEMBL3381006 0.85 F10 (0.45) HPGDSMN1; SMN2ALDH1A1KMT2AF10
SCHEMBL3986630 0.82 HTT (0.45) HPGDSMN1; SMN2ALDH1A1KMT2AF10
SCHEMBL5780260 0.81 HPGD (0.41) HPGDSMN1; SMN2ALDH1A1KMT2AF10
SCHEMBL3987347 0.81 F10 (0.47) HPGDSMN1; SMN2ALDH1A1KMT2AF10
SCHEMBL6404276 0.79 F10 (0.43) HPGDSMN1; SMN2ALDH1A1F10CCR4
SCHEMBL5779884 0.78 F10 (0.40) HPGDSMN1; SMN2ALDH1A1KMT2AF10
SCHEMBL3984298 0.78 F10 (0.63) HPGDSMN1; SMN2ALDH1A1KMT2AF10

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