SCHEMBL9540579

SCHEMBL9540579

CC(C)(C)OC(=O)C(N)CNC(=O)c1ccccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
PRMT5 O14744 1/20 0.39
LTA4H P09960 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KCNA3 P22001 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
HPGD P15428 5/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RCE1 Q9Y256 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL9430861 0.78 EPHX2 (0.39) LTA4HNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9540574 0.77 KCNA5 (0.58) KCNA5NPC1RAB9ALMNAKMT2A
SCHEMBL5664578 0.73 EPHX2 (0.46) LTA4HHPGDKDM4EALDH1A1GAA
SCHEMBL4495372 0.73 EPHX2 (0.48) POLBHPGDKDM4EALDH1A1LMNA
SCHEMBL319240 0.72 ALDH1A1 (0.45) KCNA5NPC1RAB9AALDH1A1LMNA
SCHEMBL30736662 0.72 ALDH1A1 (0.45) KCNA5NPC1RAB9AALDH1A1LMNA
SCHEMBL5663152 0.72 MLYCD (0.40) HPGDKDM4EALDH1A1KMT2A
SCHEMBL5663894 0.72 GAA (0.50) PRMT5SMN1; SMN2GAAKMT2A
SCHEMBL6500075 0.71 SYK (0.61) LTA4HSMN1; SMN2LMNAL3MBTL1
SCHEMBL1980813 0.71 L3MBTL1 (0.53) HPGDKDM4EALDH1A1LMNAGAA

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