SCHEMBL28829391

SCHEMBL28829391

CCC(=O)c1ccc(CCBr)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HCAR3 P49019 3/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ GSK3B P49841 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 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
SCHEMBL17682295 0.86 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL10066762 0.82 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL27191301 0.81 P4HA1 (0.52) MAPTL3MBTL1HCAR3HPGD
SCHEMBL21316613 0.79 MAPT (0.42) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL7419600 0.79 MAPK1 (0.56) MAPTL3MBTL1KDM4ETDP1NPC1
SCHEMBL15630423 0.77 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL28006758 0.77 MAPT (0.40) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL18397143 0.76 GSK3B (0.48) MAPTL3MBTL1HCAR3RAB9AGSK3B
SCHEMBL21574752 0.75 MAPT (0.39) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1
SCHEMBL567789 0.75 MAPT (0.44) MAPTSMN1; SMN2L3MBTL1KDM4ETDP1

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
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