SCHEMBL9255240

SCHEMBL9255240

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.55
SIRT2 Q8IXJ6 5/20 0.47
SIRT1 Q96EB6 4/20 0.47
SIRT3 Q9NTG7 3/20 0.47
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
KMT2A Q03164 2/20 0.43
RIPK2 O43353 1/20 0.42
HDAC1 Q13547 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL9256921 0.99 PTGER4 (0.56) PTGER4SIRT2SIRT1SIRT3LMNA
SCHEMBL8863445 0.92 PTGER4 (0.48) PTGER4SIRT2SIRT1SIRT3JAK2
SCHEMBL9248925 0.91 PTGER4 (0.51) PTGER4SIRT2SIRT1SIRT3JAK2
SCHEMBL9248802 0.90 PTGER4 (0.52) PTGER4SIRT2SIRT1SIRT3JAK2
SCHEMBL9252530 0.90 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255857 0.89 PTGER4 (0.49) PTGER4SIRT2SIRT1SIRT3JAK2
SCHEMBL9251758 0.89 PTGER4 (0.56) PTGER4KMT2AMEN1
SCHEMBL9253890 0.88 PTGER4 (0.49) PTGER4SIRT2SIRT1JAK2JAK1
SCHEMBL9251820 0.88 PTGER4 (0.58) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255359 0.88 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3

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
US-5434150-A Anticoagulants, cardiovascular disorders DR. KARL THOMAE GMBH (DE) 1995-07-18 US disclosed
EP-0531883-A1 Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-03-17 EP disclosed