SCHEMBL27469618

SCHEMBL27469618

C=C1C(C=O)C=CC(C)(C)C1c1nc2ccccc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CHRNA7 P36544 1/20 0.34
UBE2M P61081 3/20 0.33
DCUN1D1 Q96GG9 3/20 0.33
ALDH1A1 P00352 5/20 0.32
TP53 P04637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DDAH1 O94760 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4274892 0.74 MEN1 (0.38) MEN1KMT2ACHRNA7UBE2MDCUN1D1
SCHEMBL27475830 0.72 CHRNA7 (0.41) MEN1KMT2ACHRNA7UBE2MDCUN1D1
SCHEMBL27487914 0.64 RAB9A (0.38) MEN1KMT2AALDH1A1TP53MAPT
SCHEMBL4275205 0.63 CHRNA7 (0.44) MEN1KMT2ACHRNA7UBE2MDCUN1D1
SCHEMBL4281136 0.61 MEN1 (0.43) MEN1KMT2ACHRNA7UBE2MDCUN1D1
SCHEMBL31145098 0.61 KMT2A (0.52) MEN1KMT2ACHRNA7UBE2MDCUN1D1
SCHEMBL25908578 0.61 KMT2A (0.52) MEN1KMT2ACHRNA7UBE2MDCUN1D1
SCHEMBL24691183 0.60 UBE2M (0.53) MEN1KMT2AUBE2MDCUN1D1ALDH1A1
SCHEMBL31090883 0.60 CHRNA7 (0.46) MEN1KMT2ACHRNA7UBE2MDCUN1D1
SCHEMBL24691191 0.60 UBE2M (0.53) MEN1KMT2AUBE2MDCUN1D1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100430049-C Depressant of functions developed by molecule SHOZO KOYAMA (JP) 2008-11-05 CN disclosed
CN-1162918-A Depressant of functions developed by molecule KOYAMA SHOZO (JP) 1997-10-22 CN disclosed