SCHEMBL8949082

SCHEMBL8949082

CCOP(=O)(NC(=N)c1ccc(-c2ncc(C(=O)N(C)[C@H]3CC[C@H](C(=O)OC)CC3)cn2)cc1)OCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.37
FASN P49327 9/20 0.36
HPGD P15428 1/20 0.34
ROCK2 O75116 1/20 0.34
GABRA5 P31644 1/20 0.33
KDM4A O75164 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MELK Q14680 2/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL8948982 0.85 EGLN1 (0.38) EGLN1FASNHPGDROCK2GABRA5
SCHEMBL8949363 0.83 TMPRSS15 (0.43) EGLN1FASNHPGDGABRA5POLB
SCHEMBL8949356 0.83 TMPRSS15 (0.43) EGLN1FASNHPGDGABRA5POLB
SCHEMBL8885599 0.74 FASN (0.43) FASNROCK2KDM4AABL1RIN1
SCHEMBL8948981 0.72 GPR119 (0.38) EGLN1FASNHPGDROCK2GABRA5
SCHEMBL8948974 0.72 GPR119 (0.38) EGLN1FASNHPGDROCK2GABRA5
SCHEMBL8949176 0.72 POLB (0.36) EGLN1FASNHPGDGABRA5POLB
SCHEMBL8949178 0.72 POLB (0.36) EGLN1FASNHPGDGABRA5POLB
SCHEMBL8949414 0.71 ITGB3 (0.39) EGLN1FASNGABRA5POLB
SCHEMBL8949416 0.71 ITGB3 (0.39) EGLN1FASNGABRA5POLB

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 3 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
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed