SCHEMBL8368692

SCHEMBL8368692

CCN(CC)C(=O)C(OC(=O)C(F)(F)F)n1cc(-c2nc3ccccc3n(CC(C)N)c2=O)c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
LMNA P02545 1/20 0.35
CFTR P13569 1/20 0.34
GSR P00390 1/20 0.34
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HBB P68871 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8365244 0.93 CYP1A2 (0.34) MAPTMAPK1MEN1KMT2ACYP1A2
SCHEMBL8365258 0.90 ALDH1A1 (0.37) MAPTMAPK1MEN1KMT2ACYP1A2
SCHEMBL8365239 0.88 MAPT (0.38) MAPTMAPK1MEN1KMT2ACYP1A2
SCHEMBL8516861 0.88 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19USP2CYP3A4
SCHEMBL8365344 0.87 ATM (0.39) MAPTMAPK1MEN1KMT2ACYP1A2
SCHEMBL8367898 0.85 CTSB (0.31) MEN1KMT2ACYP1A2USP2CYP3A4
SCHEMBL8517321 0.82 BRD4 (0.42) LMNAALDH1A1CCNT1CDK9
SCHEMBL8516080 0.82 USP2 (0.35) MAPTMAPK1MEN1KMT2ACYP1A2
SCHEMBL8516090 0.81 CYP1A2 (0.39) MAPK1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL8516687 0.80 USP2 (0.33) MAPTMAPK1MEN1KMT2ACYP1A2

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-1999046260-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO claimed