SCHEMBL4789623

SCHEMBL4789623

N#Cc1ccc2c(=O)n(-c3ccccc3)n(C3CCCCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 2/20 0.43
TDP2 O95551 4/20 0.39
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM4 Q14833 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TNF P01375 1/20 0.36
LITAF Q99732 1/20 0.36
MGLL Q99685 1/20 0.35
USP14 P54578 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL14023660 0.81 NPSR1 (0.36) ALDH1A1NPSR1GRM4KDM4ETSHR
SCHEMBL14023608 0.81 MAPK8 (0.39) ALDH1A1NPSR1KDM4EPOLB
SCHEMBL14023674 0.81 ALDH1A1 (0.37) ALDH1A1NPSR1OPRM1OPRD1OPRK1
SCHEMBL14023791 0.81 KDM4E (0.44) ALDH1A1NPSR1GRM4KDM4ETSHR
SCHEMBL4789265 0.80 HSD17B10 (0.43) ALDH1A1NPSR1OGFRL1KDM4EHSD17B10
SCHEMBL4789298 0.78 TDP2 (0.45) TDP2ALDH1A1KDM4EHPGD
SCHEMBL14023720 0.78 TNF (0.40) G6PDALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4787936 0.77 KDM4E (0.41) TDP2ALDH1A1NPSR1CA1CA2
SCHEMBL14023663 0.74 NPSR1 (0.35) ALDH1A1NPSR1GRM4OPRM1OPRK1
SCHEMBL4789624 0.72 HSD17B10 (0.46) NPSR1OGFRL1KDM4EHSD17B10

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-2008141385-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-11-27 WO disclosed
WO-2008141385-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2008-11-27 WO disclosed