SCHEMBL28069678

SCHEMBL28069678

CCC(=O)c1nc(CCBr)cs1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GSK3B P49841 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ AOC3 Q16853 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL28170691 0.86 PLA2G4A (0.39) PLA2G4AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12548427 0.78 HSD17B10 (0.54) PLA2G4AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12548631 0.73 KMT2A (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6840495 0.73 HSD17B10 (0.43) PLA2G4AKMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL9891669 0.72 — —
SCHEMBL21722413 0.72 PLA2G4A (0.41) PLA2G4AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL31596034 0.72 PLA2G4A (0.41) PLA2G4AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL2877357 0.70 PLA2G4A (0.43) PLA2G4AKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12548426 0.70 PLA2G4A (0.67) PLA2G4AALDH1A1KDM4E
SCHEMBL22222462 0.70 KCNH2 (0.44) PLA2G4AKMT2AMEN1ALDH1A1KDM4E

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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