SCHEMBL9251522

SCHEMBL9251522

COC(=O)CCNC(=O)c1ccc2c(c1)nc(-c1ccc(C(=N)N)cc1)n2CC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.47
JAK2 O60674 5/20 0.45
JAK1 P23458 5/20 0.45
TYK2 P29597 5/20 0.45
JAK3 P52333 5/20 0.45
RIPK2 O43353 1/20 0.43
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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 0.93 PTGER4 (0.51) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9251820 0.91 PTGER4 (0.58) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9253890 0.91 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255359 0.91 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL9254631 0.90 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9247721 0.89 PTGER4 (0.46) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248851 0.89 PTGER4 (0.49) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248598 0.89 EPHX2 (0.52) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9248154 0.89 JAK2 (0.55) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL8863519 0.89 HDAC1 (0.52) 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