SCHEMBL3398468

SCHEMBL3398468

COc1cc(Cl)ccc1C(=O)NC1COCCn2c1nc(-c1ccncc1)cc2=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.40
F10 P00742 1/20 0.40
KCNMA1 Q12791 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.35
GSK3B P49841 3/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34

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
SCHEMBL3401265 0.94 KCNMA1 (0.44) MTORKCNMA1KDM4EALDH1A1POLB
SCHEMBL3397799 0.90 GSK3B (0.44) MTORGSK3B
SCHEMBL2066032 0.90 F10 (0.45) F10KCNMA1TP53GSK3BFLT1
SCHEMBL927355 0.90 GSK3B (0.39) MTORF10GSK3B
SCHEMBL2065921 0.88 F10 (0.45) F10KCNMA1ALDH1A1TP53
SCHEMBL3663404 0.85 GSK3B (0.41) F10KCNMA1TP53GSK3B
SCHEMBL3402354 0.85 RAB9A (0.36) MTORALDH1A1GSK3BPOLBSMN1; SMN2
SCHEMBL3425658 0.83 KCNMA1 (0.40) MTORKCNMA1KDM4EALDH1A1GSK3B
SCHEMBL3663467 0.82 F10 (0.39) F10LMNA
SCHEMBL2066338 0.81 KCNMA1 (0.46) KCNMA1KDM4EALDH1A1LMNATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247599-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2010-11-10 EP disclosed
WO-2009095788-A1 SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2009-08-06 WO disclosed