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Sugi Predict / Compounds / SCHEMBL1974194

SCHEMBL1974194

SCHEMBL1974194

CCOC(=O)OC1CCN(c2c(F)cc3c(=O)c(C(=O)NCc4ccc(OC(F)(F)F)cc4C)cn(CC(F)(F)F)c3c2OC)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 9/20 0.41
▸ KCNH2 Q12809 2/20 0.35
▸ PDE10A Q9Y233 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1972468 0.95 TOP1 (0.36) TOP1PDE10AKDM4EALDH1A1
SCHEMBL1972887 0.94 TOP1 (0.43) TOP1KCNH2PDE10A
SCHEMBL1971816 0.94 TOP1 (0.42) TOP1KCNH2PDE10AKDM4E
SCHEMBL1972467 0.93 TOP1 (0.44) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL1971424 0.93 TOP1 (0.43) TOP1KCNH2PDE10AKDM4EALDH1A1
SCHEMBL2201486 0.91 TOP1 (0.42) TOP1KCNH2PDE10APOLB
SCHEMBL12427303 0.90 TOP1 (0.44) TOP1KCNH2PDE10AKDM4EALDH1A1
SCHEMBL1973181 0.89 TOP1 (0.38) TOP1PDE10AKDM4EALDH1A1
SCHEMBL1974904 0.89 TOP1 (0.45) TOP1KCNH2KDM4EALDH1A1LMNA
SCHEMBL2203724 0.89 TOP1 (0.44) TOP1KCNH2PDE10AKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994020-B1 Substituted quinolones III AICURIS GMBH & CO KG (DE) 2011-06-22 — — EP disclosed