SCHEMBL5023734

SCHEMBL5023734

O=C1N=C(NC2CCCCCC2)SC1CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
ELANE P08246 1/20 0.31
EPHX1 P07099 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4C Q9H3R0 1/20 0.30
JAK2 O60674 2/20 0.30
JAK1 P23458 2/20 0.30
HSD17B10 Q99714 1/20 0.30
IP6K1 Q92551 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
SCHEMBL1383700 1.00 FYN (0.32) FYNKDM4EGAAELANEEPHX1
SCHEMBL1605475 1.00 FYN (0.32) FYNKDM4EGAAELANEEPHX1
SCHEMBL1385640 0.84 SMN1; SMN2 (0.42) FYNGAA
SCHEMBL5450660 0.84 SMN1; SMN2 (0.42) FYNGAA
SCHEMBL1384124 0.84 SMN1; SMN2 (0.42) FYNGAA
SCHEMBL1386746 0.84 SMN1; SMN2 (0.42) FYNGAA
Bromide SCHEMBL6389691 0.83 SMN1; SMN2 (0.41) FYNGAA
SCHEMBL1605237 0.82 ADORA1 (0.34) FYN
SCHEMBL1605232 0.82 SLC29A1 (0.34) FYNKDM4EGAAELANEEPHX1
SCHEMBL6426015 0.82 AOC1 (0.31) FYNKDM4EGAAELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP claimed