SCHEMBL3834548

SCHEMBL3834548

CC(C)(C)OC(=O)NCc1cc(I)c2c(c1)CNC2=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
BRD4 O60885 2/20 0.37
CREBBP Q92793 1/20 0.37
PARP1 P09874 2/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33
GAA P10253 1/20 0.33
GLS O94925 1/20 0.33
GFER P55789 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP3A4 P08684 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
SCHEMBL16124509 0.77 HDAC1 (0.46) NAMPTL3MBTL1HDAC1KDM4AKDM4E
SCHEMBL2048612 0.76 GPR119 (0.46) NAMPTL3MBTL1BRD4CREBBPPARP1
SCHEMBL15700313 0.73 HDAC1 (0.44) NAMPTL3MBTL1HDAC1KDM4AGAA
SCHEMBL13055397 0.73 KDM4A (0.51) NAMPTL3MBTL1HDAC1KDM4AKDM4E
SCHEMBL29089801 0.70 CACNA1H (0.43) NAMPTL3MBTL1BRD4CREBBPPARP1
SCHEMBL7037315 0.70 NAMPT (0.48) NAMPTL3MBTL1BRD4CREBBPHDAC1
SCHEMBL2959710 0.70 HDAC1 (0.40) NAMPTL3MBTL1BRD4HDAC1KDM4A
SCHEMBL25217202 0.70 L3MBTL1 (0.46) NAMPTL3MBTL1BRD4CREBBPHDAC1
SCHEMBL31647332 0.70 BRD4 (0.45) NAMPTL3MBTL1BRD4CREBBPPARP1
SCHEMBL626784 0.70 GAA (0.52) NAMPTL3MBTL1HDAC1KDM4AKDM4E

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
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed