SCHEMBL2398199

SCHEMBL2398199

CC(C)(C)[C@]1(CO)CN(S(=O)(=O)c2c[nH]c(=O)c3ccc(Br)cc23)CCN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
CYP2C9 P11712 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL1710318 0.78 PKM (0.43) LMNAMEN1KMT2APKMPOLB
SCHEMBL2394987 0.74 LMNA (0.34) LMNAMEN1KMT2APKM
SCHEMBL1710700 0.74 KMT2A (0.40) LMNAMEN1KMT2APKMPOLB
SCHEMBL2391300 0.73 TGM2 (0.45) MEN1KMT2APKMKDM4EHSD17B10
SCHEMBL2392201 0.72 LMNA (0.41) LMNA
SCHEMBL2522943 0.71 MEN1 (0.40) LMNAMEN1KMT2AKDM4E
SCHEMBL2398197 0.70 NR1H2 (0.38) LMNA
SCHEMBL2392198 0.70 EPHX2 (0.41) LMNA
SCHEMBL2394793 0.70 TGM2 (0.44) MEN1KMT2A
SCHEMBL2394467 0.69 EPHX2 (0.49) LMNAMEN1KMT2AKDM4E

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
US-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed