SCHEMBL8949178

SCHEMBL8949178

CN(C(=O)c1cnc(-c2ccc(C(=N)N)cc2)nc1)C1CCC(C(=O)OCC2CCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
XDH P47989 1/20 0.36
PARP15 Q460N3 3/20 0.35
PARP10 Q53GL7 3/20 0.35
EGLN1 Q9GZT9 2/20 0.35
MAP4K4 O95819 1/20 0.35
HPGD P15428 1/20 0.34
RORC P51449 1/20 0.34
SYK P43405 3/20 0.34
GABRA5 P31644 1/20 0.34
PARP2 Q9UGN5 1/20 0.33
F2 P00734 2/20 0.33
FASN P49327 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PLG P00747 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL8949176 1.00 POLB (0.36) POLBXDHPARP15PARP10EGLN1
SCHEMBL8949356 0.85 TMPRSS15 (0.43) POLBEGLN1HPGDSYKGABRA5
SCHEMBL8949363 0.85 TMPRSS15 (0.43) POLBEGLN1HPGDSYKGABRA5
SCHEMBL8949156 0.85 POLB (0.40) POLBEGLN1HPGDSYKF2
SCHEMBL8949150 0.85 POLB (0.40) POLBEGLN1HPGDSYKF2
SCHEMBL8948981 0.83 GPR119 (0.38) POLBEGLN1HPGDSYKGABRA5
SCHEMBL8948974 0.83 GPR119 (0.38) POLBEGLN1HPGDSYKGABRA5
SCHEMBL8949416 0.82 ITGB3 (0.39) POLBEGLN1SYKGABRA5F2
SCHEMBL8949414 0.82 ITGB3 (0.39) POLBEGLN1SYKGABRA5F2
SCHEMBL8949047 0.76 HSD11B1 (0.38) POLBSYKITGB3ITGA2BPRSS1

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-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed