SCHEMBL28069679

SCHEMBL28069679

CCC(=O)c1nc(C(C)Br)cs1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.37
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12101028 0.73 PLA2G4A (0.47) PLA2G4ASMN1; SMN2
SCHEMBL6840495 0.73 HSD17B10 (0.43) PLA2G4ANPC1RAB9ASMN1; SMN2
SCHEMBL28170691 0.72 PLA2G4A (0.39) PLA2G4ANPC1RAB9ASMN1; SMN2
SCHEMBL31596034 0.72 PLA2G4A (0.41) PLA2G4ANPC1RAB9ASMN1; SMN2
SCHEMBL21722413 0.72 PLA2G4A (0.41) PLA2G4ANPC1RAB9ASMN1; SMN2
SCHEMBL12548426 0.70 PLA2G4A (0.67) PLA2G4A
SCHEMBL28069678 0.70 PLA2G4A (0.37) PLA2G4ANPC1RAB9ASMN1; SMN2
SCHEMBL10247168 0.69 ALDH1A1 (0.39) —
SCHEMBL7555425 0.68 XIAP (0.44) PLA2G4ANPC1RAB9ASMN1; SMN2
SCHEMBL12548427 0.68 HSD17B10 (0.54) PLA2G4ANPC1RAB9ASMN1; SMN2

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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