SCHEMBL7259247

SCHEMBL7259247

CC(C)(C)OC(=O)NCc1cc(Cl)ccc1OCCCBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
MAPT P10636 2/20 0.43
PTGER1 P34995 2/20 0.43
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 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
SCHEMBL7254334 0.97 IDO1 (0.44) IDO1MAPTPTGER1KDM4EALDH1A1
SCHEMBL7255214 0.95 IDO1 (0.43) IDO1MAPTPTGER1KDM4EALDH1A1
SCHEMBL7257945 0.95 IDO1 (0.43) IDO1MAPTPTGER1KDM4EALDH1A1
SCHEMBL7257883 0.94 IDO1 (0.46) IDO1MAPTPTGER1KDM4EALDH1A1
SCHEMBL7254326 0.84 KDM4E (0.48) IDO1MAPTPTGER1KDM4EALDH1A1
SCHEMBL7255220 0.84 KDM4E (0.48) IDO1MAPTPTGER1KDM4EALDH1A1
SCHEMBL3730313 0.83 MAPT (0.45) IDO1MAPTPTGER1SMN1; SMN2LMNA
SCHEMBL7372767 0.83 MAPT (0.58) IDO1MAPTPTGER1CYP2C9TSHR
SCHEMBL28962997 0.82 IDO1 (0.53) IDO1MAPTPTGER1KDM4EALDH1A1
SCHEMBL7260017 0.82 KDM4E (0.46) IDO1MAPTPTGER1KDM4EALDH1A1

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-2003011222-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2003-02-13 WO disclosed