SCHEMBL9253890

SCHEMBL9253890

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CCO

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.49
SIRT2 Q8IXJ6 3/20 0.49
SIRT1 Q96EB6 3/20 0.49
JAK2 O60674 7/20 0.48
JAK1 P23458 7/20 0.48
TYK2 P29597 7/20 0.48
JAK3 P52333 7/20 0.48
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
RIPK2 O43353 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL9252530 0.94 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251820 0.93 PTGER4 (0.58) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255359 0.93 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9254631 0.92 PTGER4 (0.49) PTGER4SIRT2JAK2JAK1TYK2
SCHEMBL9248154 0.91 JAK2 (0.55) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248598 0.91 EPHX2 (0.52) PTGER4SIRT2JAK2JAK1TYK2
SCHEMBL9251522 0.91 PTGER4 (0.47) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9249355 0.90 PTGER4 (0.47) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251388 0.90 JAK2 (0.48) PTGER4SIRT2SIRT1JAK2JAK1
SCHEMBL9255288 0.90 PTGER4 (0.48) PTGER4SIRT2SIRT1JAK2JAK1

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