SCHEMBL3987347

SCHEMBL3987347

COc1ccc(CN2Cc3cccc(NC(=O)c4ccc(Cl)s4)c3C2=O)cc1I

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.47
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
CREBBP Q92793 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 2/20 0.41
NR1I2 O75469 1/20 0.40
UGCG Q16739 1/20 0.40
MCL1 Q07820 1/20 0.39
HPGD P15428 1/20 0.38
HDAC1 Q13547 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8230002 0.92 F10 (0.41) F10MAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3984298 0.87 F10 (0.63) F10MAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3382279 0.86 F10 (0.49) F10MAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3382382 0.85 F10 (0.55) F10ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3989045 0.84 F10 (0.47) F10MAPT
SCHEMBL3986630 0.83 HTT (0.45) F10MAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5782990 0.83 F10 (0.55) F10ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL5781798 0.82 F10 (0.49) F10MAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3979217 0.81 HPGD (0.40) F10MAPK1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5780718 0.80 F10 (0.56) F10MAPK1ALDH1A1KMT2ASMN1; SMN2

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