SCHEMBL5201100

SCHEMBL5201100

Brc1[c]nc2c(Br)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
NOS1 P29475 1/20 0.33
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7983249 0.73 BACE1 (0.56) BACE1NOS1ENPP3ENPP1CA12
SCHEMBL558480 0.71 ALDH1A1 (0.46) LMNA
SCHEMBL10476670 0.69 BACE1 (0.47) BACE1NOS1ENPP3ENPP1CA12
SCHEMBL6477443 0.67 BACE1 (0.44) BACE1NOS1ENPP3ENPP1CA12
SCHEMBL28573272 0.65 ALDH1A1 (0.56) BACE1LMNA
SCHEMBL3050683 0.64 BACE1 (0.50) BACE1NOS1SMN1; SMN2
SCHEMBL7547167 0.64 BACE1 (0.46) BACE1LMNA
SCHEMBL3558158 0.64 BACE1 (0.41) BACE1NOS1LMNASMN1; SMN2
SCHEMBL2850764 0.64 PSMD14 (0.65) BACE1
SCHEMBL3713340 0.64 BACE1 (0.41) BACE1NOS1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817309-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES Syngeta Participations AG (CH) 2007-08-15 EP claimed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO claimed