SCHEMBL9248802

SCHEMBL9248802

N=C(N)c1ccc(-c2nc3cc(C(=O)NCCC(=O)O)ccc3n2CCN2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
JAK2 O60674 8/20 0.45
JAK1 P23458 8/20 0.45
TYK2 P29597 8/20 0.45
JAK3 P52333 8/20 0.45
SIRT2 Q8IXJ6 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
HDAC1 Q13547 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 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
SCHEMBL9248925 0.99 PTGER4 (0.51) PTGER4MEN1KMT2AJAK2JAK1
SCHEMBL8863965 0.92 PTGER4 (0.45) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9256921 0.91 PTGER4 (0.56) PTGER4MEN1KMT2AJAK2JAK1
Acetic Acid SCHEMBL9251974 0.90 PTGER4 (0.45) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9249301 0.90 PTGER4 (0.47) PTGER4MEN1KMT2AJAK2JAK1
SCHEMBL9255433 0.90 JAK2 (0.50) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255240 0.90 PTGER4 (0.55) PTGER4MEN1KMT2AJAK2JAK1
SCHEMBL9255435 0.89 PTGER4 (0.52) PTGER4KMT2AJAK2JAK1TYK2
SCHEMBL9251388 0.88 JAK2 (0.48) PTGER4JAK2JAK1TYK2JAK3
SCHEMBL9255982 0.88 JAK2 (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