SCHEMBL8948982

SCHEMBL8948982

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.38
FASN P49327 6/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
ROCK2 O75116 1/20 0.35
GABRA5 P31644 1/20 0.34
SYK P43405 1/20 0.34
KDM4A O75164 1/20 0.33
ABL1 P00519 1/20 0.33
RIN1 Q13671 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TMPRSS15 P98073 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
MELK Q14680 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
PDGFRB P09619 1/20 0.32
PDGFRA P16234 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
SCHEMBL8885599 0.89 FASN (0.43) FASNROCK2KDM4AABL1RIN1
SCHEMBL8949356 0.88 TMPRSS15 (0.43) EGLN1FASNPOLBHPGDGABRA5
SCHEMBL8949363 0.88 TMPRSS15 (0.43) EGLN1FASNPOLBHPGDGABRA5
SCHEMBL8949082 0.85 EGLN1 (0.37) EGLN1FASNPOLBHPGDROCK2
SCHEMBL8948974 0.79 GPR119 (0.38) EGLN1FASNPOLBHPGDROCK2
SCHEMBL8948981 0.79 GPR119 (0.38) EGLN1FASNPOLBHPGDROCK2
SCHEMBL8949416 0.75 ITGB3 (0.39) EGLN1FASNPOLBGABRA5SYK
SCHEMBL8949414 0.75 ITGB3 (0.39) EGLN1FASNPOLBGABRA5SYK
SCHEMBL8949150 0.75 POLB (0.40) EGLN1POLBHPGDSYKTMPRSS15
SCHEMBL8949156 0.75 POLB (0.40) EGLN1POLBHPGDSYKTMPRSS15

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