SCHEMBL858676

SCHEMBL858676

CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cc(Br)cnc2O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
CTSK P43235 2/20 0.42
KDM4D Q6B0I6 4/20 0.42
JAK3 P52333 2/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
RORC P51449 1/20 0.41
NAMPT P43490 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
BTK Q06187 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL3755359 0.89 HSD17B10 (0.51) BRD4ALOX5APFEN1CTSKKDM4D
SCHEMBL856038 0.89 HSD17B10 (0.51) BRD4ALOX5APFEN1CTSKKDM4D
SCHEMBL3760824 0.89 HSD17B10 (0.51) BRD4ALOX5APFEN1CTSKKDM4D
SCHEMBL3814254 0.87 BRD4 (0.48) BRD4ALOX5APFEN1CTSKJAK3
SCHEMBL3762883 0.85 KDM4E (0.43) KDM4EHSD17B10MMP2MMP13EPHX2
SCHEMBL6120288 0.85 KDM4E (0.43) KDM4EHSD17B10MMP2MMP13EPHX2
SCHEMBL3766037 0.83 ALOX5AP (0.54) BRD4ALOX5APFEN1JAK3JAK2
SCHEMBL17843470 0.83 RORC (0.49) BRD4ALOX5APFEN1CTSKKDM4D
SCHEMBL3750670 0.83 HSD17B10 (0.55) BRD4ALOX5APFEN1NAMPTCKS1B
SCHEMBL855425 0.81 HSD17B10 (0.52) BRD4ALOX5APFEN1RORCKDM4E

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-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed