SCHEMBL19576325

SCHEMBL19576325

CC[C@H](C)C(=O)Nc1cccc(F)c1C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
HTT P42858 1/20 0.45
NOD2 Q9HC29 1/20 0.45
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
F10 P00742 1/20 0.43
TRPA1 O75762 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 3/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19935743 1.00 KMT2A (0.49) KMT2AKDM4EL3MBTL1GAAJAK2
SCHEMBL19209038 0.86 GAA (0.44) KMT2AGAAJAK2JAK1TYK2
SCHEMBL19209037 0.86 GAA (0.44) KMT2AGAAJAK2JAK1TYK2
SCHEMBL16345869 0.85 GAA (0.48) KMT2AL3MBTL1GAAJAK2JAK1
SCHEMBL16583355 0.84 MEN1 (0.44) KMT2AKDM4EGAAJAK2JAK1
SCHEMBL19576319 0.84 GAA (0.43) KMT2AGAAJAK2JAK1TYK2
SCHEMBL16583403 0.82 LMNA (0.48) KMT2AGAAJAK2JAK1TYK2
SCHEMBL2608534 0.81 KMT2A (0.61) KMT2AKDM4EL3MBTL1GAAMEN1
SCHEMBL18188681 0.80 RAB9A (0.40) KMT2AKDM4EGAAJAK2JAK1
SCHEMBL18188684 0.80 RAB9A (0.40) KMT2AKDM4EGAAJAK2JAK1

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
WO-2017191608-A1 NOVEL PROCESS FOR PREPARATION OF IDELALISIB LAURUS LABS LIMITED (IN) 2017-11-09 WO disclosed