SCHEMBL27475830

SCHEMBL27475830

CC1(C)C=CC(C=O)CC1c1nc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
UBE2M P61081 5/20 0.35
DCUN1D1 Q96GG9 5/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 3/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CNR1 P21554 2/20 0.34
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4275205 0.73 CHRNA7 (0.44) CHRNA7MEN1KMT2AUBE2MDCUN1D1
SCHEMBL27469618 0.72 MEN1 (0.36) CHRNA7MEN1KMT2AUBE2MDCUN1D1
SCHEMBL31090883 0.68 CHRNA7 (0.46) CHRNA7MEN1KMT2AUBE2MDCUN1D1
SCHEMBL6612905 0.67 MEN1 (0.46) CHRNA7MEN1KMT2AUBE2MDCUN1D1
SCHEMBL19781780 0.65 MEN1 (0.53) CHRNA7MEN1KMT2AUBE2MDCUN1D1
SCHEMBL31145098 0.64 KMT2A (0.52) CHRNA7MEN1KMT2AUBE2MDCUN1D1
SCHEMBL25908578 0.64 KMT2A (0.52) CHRNA7MEN1KMT2AUBE2MDCUN1D1
SCHEMBL4281136 0.64 MEN1 (0.43) CHRNA7MEN1KMT2AUBE2MDCUN1D1
SCHEMBL27472022 0.63 RAB9A (0.40) MEN1KMT2AALDH1A1NPSR1TP53
SCHEMBL24691190 0.63 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