SCHEMBL6684918

SCHEMBL6684918

CC(=O)CCCCCC(=O)OCC#Cc1ccc2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.38
EGLN1 Q9GZT9 6/20 0.36
PDE5A O76074 2/20 0.36
PDPK1 O15530 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EGLN3 Q9H6Z9 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
SCHEMBL6682167 0.87 EGLN1 (0.37) NR3C1EGLN1SMN1; SMN2ALDH1A1
SCHEMBL6199424 0.87 EGLN1 (0.35) NR3C1EGLN1PDE5APDPK1SMN1; SMN2
SCHEMBL6198743 0.86 EGLN1 (0.35) NR3C1EGLN1PDE5APDPK1SMN1; SMN2
SCHEMBL6199416 0.84 EGLN1 (0.34) NR3C1EGLN1PDE5APDPK1
SCHEMBL6682523 0.84 EGLN1 (0.38) NR3C1EGLN1SMN1; SMN2ALDH1A1
SCHEMBL6197455 0.81 NR3C1 (0.44) NR3C1EGLN1PDE5APDPK1
SCHEMBL6202848 0.80 EGLN1 (0.36) NR3C1EGLN1PDE5APDPK1SMN1; SMN2
SCHEMBL6216695 0.78 EGLN1 (0.43) NR3C1EGLN1PDE5ASMN1; SMN2ALDH1A1
SCHEMBL6200203 0.77 NR3C1 (0.42) NR3C1EGLN1PDE5APDPK1SMN1; SMN2
SCHEMBL6686369 0.77 MEN1 (0.39)

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-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed