SCHEMBL9255905

SCHEMBL9255905

CCCCCCCCCCn1c(-c2ccc(C(=N)N)cc2)nc2cc(C(=O)NCCC(=O)OC)ccc21

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.52
EPHX2 P34913 1/20 0.49
PTGER4 P35408 8/20 0.49
JAK2 O60674 3/20 0.45
JAK1 P23458 3/20 0.45
TYK2 P29597 3/20 0.45
JAK3 P52333 3/20 0.45
ADORA2A P29274 1/20 0.43
RIPK2 O43353 1/20 0.43
BCHE P06276 1/20 0.43
CNR2 P34972 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9251281 1.00 SIRT2 (0.52) SIRT2EPHX2PTGER4JAK2JAK1
SCHEMBL9248598 0.97 EPHX2 (0.52) SIRT2EPHX2PTGER4JAK2JAK1
SCHEMBL9253878 0.93 JAK2 (0.51) SIRT2EPHX2PTGER4JAK2JAK1
Hydrochloric Acid SCHEMBL9254631 0.92 PTGER4 (0.49) SIRT2EPHX2PTGER4JAK2JAK1
SCHEMBL9248154 0.91 JAK2 (0.55) EPHX2PTGER4JAK2JAK1TYK2
SCHEMBL9255722 0.91 SIRT2 (0.51) SIRT2EPHX2PTGER4JAK2JAK1
SCHEMBL9252530 0.91 PTGER4 (0.51) EPHX2PTGER4JAK2JAK1TYK2
SCHEMBL9249355 0.91 PTGER4 (0.47) EPHX2PTGER4JAK2JAK1TYK2
Bromide SCHEMBL9254353 0.91 SIRT2 (0.51) SIRT2EPHX2PTGER4JAK2JAK1
SCHEMBL9251820 0.90 PTGER4 (0.58) 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