SCHEMBL6977216

SCHEMBL6977216

COC(=O)CCCNc1ccccc1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.53
KDM4E B2RXH2 3/20 0.50
GLA P06280 1/20 0.50
NR1H4 Q96RI1 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK10 P53779 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.45
AGTR1 P30556 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL7301777 0.87 TOP2A (0.53) KDM4EGLAALDH1A1HSD17B10NPC1
SCHEMBL3871114 0.82 ALDH1A1 (0.58) KDM4ENR1H4ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5566202 0.82 AGTR1 (0.50) SIRT2KDM4EGLAALDH1A1HSD17B10
SCHEMBL8047226 0.81 KMT2A (0.56) SIRT2KDM4EGLAALDH1A1SMN1; SMN2
SCHEMBL14577687 0.81 TSHR (0.53) KDM4EGLAALDH1A1HSD17B10MAPT
SCHEMBL4539617 0.80 KDM4E (0.54) SIRT2KDM4EGLAALDH1A1HSD17B10
SCHEMBL648231 0.80 CNR2 (0.55) KDM4EGLAALDH1A1HSD17B10MAPT
SCHEMBL27851818 0.80 KDM4E (0.53) SIRT2KDM4EGLAALDH1A1HSD17B10
SCHEMBL7590166 0.79 CNR2 (0.56) KDM4EGLAALDH1A1HSD17B10MAPT
SCHEMBL6971190 0.79 ALDH1A1 (0.46) KDM4ENR1H4ALDH1A1HSD17B10SMN1; 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-1021411-B1 BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS GLAXO GROUP LTD (GB) 2003-03-05 EP disclosed
US-6326386-B1 ANTICOAGULANT GLAXO GROUP LIMITED (GB) 2001-12-04 US disclosed