SCHEMBL7692525

SCHEMBL7692525

CC(C)(C)OC(=O)CCNC(=O)c1ccc2c(Cl)ccnc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT2 Q96PD7 1/20 0.50
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMYD3 Q9H7B4 1/20 0.43
CSNK2A2 P19784 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
CSNK2A3 Q8NEV1 1/20 0.42
NAMPT P43490 1/20 0.41
HPGD P15428 3/20 0.40
PTPRC P08575 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7693830 0.81 NPC1 (0.52) NPC1RAB9ASMYD3HPGDATM
SCHEMBL6436909 0.80 DGAT2 (0.50) DGAT2RAB9ACSNK2A2CLK2CSNK2B
SCHEMBL8866585 0.77 SMYD3 (0.46) DGAT2SMYD3PTPRCMAPTSMN1; SMN2
SCHEMBL5628818 0.76 CYP1A2 (0.54) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22972454 0.76 CSNK2A2 (0.48) NPC1RAB9ASMYD3CSNK2A2CSNK2B
SCHEMBL6433846 0.75 DGAT2 (0.47) DGAT2RAB9ACSNK2A2CLK2CSNK2B
SCHEMBL24725139 0.75 SMYD3 (0.46) NPC1RAB9ASMYD3HPGDMAPT
SCHEMBL22972033 0.74 SMYD3 (0.48) NPC1RAB9ASMYD3HPGDMAPT
SCHEMBL2173115 0.74 PLK1 (0.52) NPC1RAB9ASMYD3SMN1; SMN2KMT2A
SCHEMBL21201145 0.74 CSNK2A2 (0.50) NPC1RAB9ASMYD3CSNK2A2CSNK2B

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed