SCHEMBL8949244

SCHEMBL8949244

COC(=O)C1CCC(N(C)C(=O)c2cc(-c3ccc(C(=N)N)cc3)nn(CC(=O)N3CCOCC3)c2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 2/20 0.34
HPGD P15428 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.33
TMPRSS15 P98073 2/20 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
SCHEMBL8949242 1.00 POLB (0.39) POLBUSP2KDM4EHSD17B10ALDH1A1
SCHEMBL9571672 0.92 ITGB3 (0.38) POLBUSP2KDM4EHSD17B10ALDH1A1
SCHEMBL9571670 0.92 ITGB3 (0.38) POLBUSP2KDM4EHSD17B10ALDH1A1
SCHEMBL8949249 0.87 CNR2 (0.41) POLBALDH1A1SMN1; SMN2HPGDF2
Hydrochloric Acid SCHEMBL8948990 0.83 F10 (0.34) POLBSMN1; SMN2HPGDITGB3ITGA2B
SCHEMBL8949284 0.82 F2 (0.38) ITGB3ITGA2BTMPRSS15F2
SCHEMBL8949279 0.82 F2 (0.38) ITGB3ITGA2BTMPRSS15F2
Hydrochloric Acid SCHEMBL8949003 0.81 F2 (0.37) ITGB3ITGA2BTMPRSS15F2
SCHEMBL8948967 0.81 POLB (0.47) POLBKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL8949166 0.79 F2 (0.38) POLBUSP2KDM4EHSD17B10ALDH1A1

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
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed