SCHEMBL5289034

SCHEMBL5289034

N[C@H](C(=O)O)C(Br)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.51
MPO P05164 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
PKM P14618 1/20 0.51
NOD2 Q9HC29 1/20 0.48
MGAM O43451 3/20 0.48
GAA P10253 3/20 0.48
SI P14410 3/20 0.48
MGAM2 Q2M2H8 3/20 0.48
GPR84 Q9NQS5 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
FFAR1 O14842 2/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL4184199 0.84 MAPT (0.54) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL4170824 0.84 MAPT (0.54) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL29263804 0.83 MEN1 (0.52) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL29263805 0.83 MEN1 (0.52) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL18165412 0.82 MEN1 (0.55) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL195995 0.82 GPR84 (0.53) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL6588456 0.82 GPR84 (0.53) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL195996 0.82 GPR84 (0.53) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL31646630 0.82 GPR84 (0.53) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL31646404 0.82 GPR84 (0.53) MEN1KMT2AMAPTKDM4ELMNA

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-2007001399-A2 COMPOSITIONS, SPLICE VARIANTS AND METHODS RELATING TO CANCER SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2007-01-04 WO disclosed