SCHEMBL28069735

SCHEMBL28069735

CCC(=O)c1ccc(C(C)Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HIF1A Q16665 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
ESR1 P03372 5/20 0.36

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
SCHEMBL25093232 0.86 NPC1 (0.41) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL22296718 0.84 P4HTM (0.34) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL14358092 0.81 KDM4E (0.53) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL30827493 0.77 MAPK1 (0.57) MAPTALDH1A1LMNAKDM4ECYP1A2
SCHEMBL24724201 0.77 MAPK1 (0.57) MAPTALDH1A1LMNAKDM4ECYP1A2
SCHEMBL14280836 0.75 KDM4E (0.60) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL30212461 0.74 ACACB (0.42) MAPTALDH1A1LMNATSHRKMT2A
SCHEMBL17666650 0.73 HSP90AB1 (0.44) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL2643085 0.73 TDP1 (0.48) TDP1MAPTALDH1A1LMNAKDM4E
SCHEMBL28044523 0.73 MAPT (0.50) TDP1MAPTALDH1A1LMNAHIF1A

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