SCHEMBL9540574

SCHEMBL9540574

CC(C)(C)OC(=O)NCCNC(=O)c1ccccc1CBr

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.58
MALT1 Q9UDY8 1/20 0.46
BCHE P06276 1/20 0.44
NQO2 P16083 1/20 0.44
HCRTR1 O43613 1/20 0.43
IDO1 P14902 2/20 0.43
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 2/20 0.41
CXCR2 P25025 1/20 0.41
AKT1 P31749 1/20 0.40
DRD2 P14416 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9743749 0.88 KCNA5 (0.56) KCNA5MALT1BCHENQO2HCRTR1
SCHEMBL28027633 0.87 KCNA5 (0.56) KCNA5MALT1BCHENQO2HCRTR1
SCHEMBL4059012 0.83 HPGD (0.56) KCNA5MALT1BCHEHCRTR1IDO1
SCHEMBL1657927 0.82 ESRRG (0.56) KCNA5MALT1BCHEHCRTR1IDO1
SCHEMBL14690580 0.80 CRBN (0.51) KCNA5MALT1BCHEHCRTR1IDO1
SCHEMBL7654695 0.79 KCNA5 (0.54) KCNA5MALT1BCHENQO2IDO1
SCHEMBL24086511 0.78 NQO2 (0.53) KCNA5MALT1BCHENQO2IDO1
SCHEMBL9540579 0.77 KCNA5 (0.43) KCNA5KMT2ANPC1RAB9ALMNA
SCHEMBL1754810 0.77 POLB (0.58) MALT1BCHEIDO1NPC1RAB9A
SCHEMBL319240 0.76 ALDH1A1 (0.45) KCNA5HTTMEN1KMT2ANPC1

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-1993000906-A1 MUSCARINIC ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-01-21 WO disclosed