SCHEMBL1871934

SCHEMBL1871934

Nc1c(NCc2ccccc2)cc(Br)nc1Br

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ APP P05067 6/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ DHFR P00374 1/20 0.40
▸ P2RY4 P51582 1/20 0.40
▸ NCF1 P14598 1/20 0.39

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
SCHEMBL12669337 0.85 CD38 (0.50) BACE1SMN1; SMN2HSD17B10NPSR1NCF1
SCHEMBL1871110 0.81 FABP4 (0.49) BACE1SMN1; SMN2APP
SCHEMBL1871546 0.76 MAPT (0.49) SMN1; SMN2NPSR1
SCHEMBL17807836 0.76 BACE1 (0.58) BACE1SMN1; SMN2APPHSD17B10NPSR1
SCHEMBL7022867 0.73 SMN1; SMN2 (0.68) SMN1; SMN2APPNPSR1DHFR
SCHEMBL3853354 0.70 BACE1 (0.51) BACE1APPHSD17B10
SCHEMBL7033224 0.70 CD38 (0.50) BACE1SMN1; SMN2HSD17B10NPSR1
SCHEMBL1519151 0.69 SMN1; SMN2 (0.47) BACE1SMN1; SMN2APPHSD17B10
SCHEMBL3235742 0.69 SMN1; SMN2 (0.47) BACE1SMN1; SMN2APPHSD17B10
SCHEMBL12164325 0.69 MAPT (0.57) SMN1; SMN2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011057148-A1 COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS IRM LLC (BM) 2011-05-12 — — WO disclosed
WO-2011057148-A1 COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS IRM LLC (BM) 2011-05-12 — — WO disclosed
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