SCHEMBL4529804

SCHEMBL4529804

Nc1c(F)cccc1NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.42
IDO1 P14902 2/20 0.41
PLK1 P53350 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
GPR68 Q15743 1/20 0.40
HTR6 P50406 1/20 0.40

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
SCHEMBL4982611 0.83 HSD17B10 (0.59) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL11511266 0.81 HSD17B10 (0.53) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL16856424 0.79 HSD17B10 (0.50) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL3853354 0.79 BACE1 (0.51) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL10055034 0.77 HDAC1 (0.54) HSD17B10KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL11935875 0.76 HDAC1 (0.48) BACE1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL12074306 0.76 HSD17B10 (0.47) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL17595673 0.76 GPR68 (0.49) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL4571036 0.76 HSD17B10 (0.71) BACE1HSD17B10KDM4EHPGDTSHR
SCHEMBL30464743 0.76 HSD17B10 (0.71) BACE1HSD17B10KDM4EHPGDTSHR

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-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed
WO-2009083526-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-07-09 WO disclosed