SCHEMBL28069734

SCHEMBL28069734

CCC(=O)c1ccc(CCBr)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
P4HTM Q9NXG6 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.37

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
SCHEMBL27536598 0.86 MAPT (0.58) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL28775127 0.83 NFKB1 (0.73) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL10066438 0.82 L3MBTL1 (0.49) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL14358094 0.81 P4HTM (0.69) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL6138523 0.79 MAPT (0.46) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL28252056 0.79 P4HTM (0.49) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL2642680 0.79 L3MBTL1 (0.46) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL28807057 0.79 MAPK1 (0.56) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL10084638 0.76 L3MBTL1 (0.46) KDM4EALDH1A1TSHRNFKB1L3MBTL1
SCHEMBL14280836 0.75 KDM4E (0.60) KDM4EALDH1A1TSHRNFKB1L3MBTL1

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
CN-105566324-A Hydroxyl purine compound and application thereof GOOD DOCTOR PHARMACEUTICAL GROUP CO LTD 2016-05-11 CN disclosed