SCHEMBL3982271

SCHEMBL3982271

COc1ccc(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2O)cc1I

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.41
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
STK33 Q9BYT3 1/20 0.37
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
THRB P10828 2/20 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
SCHEMBL3979217 0.87 HPGD (0.40) F10KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL3991573 0.86 F10 (0.43) F10KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL3986630 0.82 HTT (0.45) F10KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL5785459 0.82 F10 (0.43) F10KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL3984298 0.81 F10 (0.63) F10KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL6407626 0.81 F10 (0.50) F10SMN1; SMN2HPGDALDH1A1STK33
SCHEMBL6408829 0.79 F10 (0.46) F10SMN1; SMN2HPGDALDH1A1STK33
SCHEMBL8229933 0.79 CCR4 (0.35) F10KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL5783337 0.78 F10 (0.43) F10KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL3987347 0.78 F10 (0.47) F10KMT2ASMN1; SMN2HPGDALDH1A1

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 3 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
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