SCHEMBL9255722

SCHEMBL9255722

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.51
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
JAK2 O60674 5/20 0.48
JAK1 P23458 5/20 0.48
TYK2 P29597 5/20 0.48
JAK3 P52333 5/20 0.48
F2 P00734 3/20 0.47
EPHX2 P34913 1/20 0.46
PTGER4 P35408 2/20 0.46
GCGR P47871 1/20 0.45
TP53 P04637 2/20 0.44
MAPT P10636 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
Bromide SCHEMBL9254353 0.99 SIRT2 (0.51) SIRT2ITGB3ITGA2BJAK2JAK1
SCHEMBL9251208 0.96 ITGB3 (0.53) SIRT2ITGB3ITGA2BJAK2JAK1
SCHEMBL9247518 0.92 JAK2 (0.56) SIRT2ITGB3ITGA2BJAK2JAK1
SCHEMBL9255982 0.92 JAK2 (0.52) ITGB3ITGA2BJAK2JAK1TYK2
SCHEMBL9255905 0.91 SIRT2 (0.52) SIRT2JAK2JAK1TYK2JAK3
SCHEMBL9251281 0.91 SIRT2 (0.52) SIRT2JAK2JAK1TYK2JAK3
SCHEMBL9257115 0.90 JAK2 (0.60) ITGB3ITGA2BJAK2JAK1TYK2
SCHEMBL9255433 0.90 JAK2 (0.50) ITGB3ITGA2BJAK2JAK1TYK2
Bromide SCHEMBL9248603 0.89 SIRT2 (0.51) SIRT2JAK2JAK1TYK2JAK3
SCHEMBL9251118 0.89 JAK2 (0.47) ITGB3ITGA2BJAK2JAK1TYK2

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