SCHEMBL6017198

SCHEMBL6017198

NC(=O)c1nc(N)c(N)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ PLAU P00749 4/20 0.41
▸ SLC9A1 P19634 4/20 0.41
▸ GLA P06280 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ FTO Q9C0B1 2/20 0.41
▸ SCNN1A P37088 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ SLC9A5 Q14940 2/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ HTR1A P08908 1/20 0.41

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
SCHEMBL14237878 0.81 PLAU (0.50) PDPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2850325 0.81 TDP1 (0.52) PDPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28083263 0.80 TDP1 (0.40) PDPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20819986 0.77 PLAU (0.66) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL2482578 0.76 PDPK1 (0.61) PDPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31325583 0.74 SCNN1A (0.63) PDPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25562756 0.74 PLAU (0.37) PDPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL805324 0.74 SCNN1A (0.63) PDPK1ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL11496167 0.73 ALDH1A1 (0.65) PDPK1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL25809135 0.73 POLB (0.41) PDPK1ALDH1A1KDM4EHPGDHSD17B10

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-1664056-A2 FUSED PENTACYCLIC POLYETHERS University of North Carolina at Wilmington (US) 2006-06-07 — — EP disclosed
WO-2005028481-A2 FUSED PENTACYCLIC POLYETHERS UNIVERSITY OF NORTH CAROLINA AT WILMINGTON (US) 2005-03-31 — — WO disclosed
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