SCHEMBL5679812

SCHEMBL5679812

FC(F)(F)c1ccc2[nH]c(NCC3CCCO3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HSD17B10 Q99714 4/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ TSHR P16473 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ PTGES O14684 2/20 0.42
▸ CDC7 O00311 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 1/20 0.40

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
SCHEMBL5681878 0.80 PDE3B (0.40) PDE3BPDE3A
SCHEMBL5679513 0.74 DYRK1A (0.46) KDM4ETSHRTP53ALDH1A1SMN1; SMN2
SCHEMBL5679762 0.73 RAB9A (0.45) MEN1KMT2AKDM4ETP53ALDH1A1
SCHEMBL5679676 0.73 RIPK1 (0.46) MAPK1
SCHEMBL14521682 0.70 RAB9A (0.63) MEN1KMT2ATP53SMN1; SMN2NPC1
SCHEMBL15246748 0.70 DYRK1A (0.49) KDM4E
SCHEMBL32680214 0.70 DYRK1A (0.49) KDM4E
SCHEMBL5681358 0.70 DYRK1A (0.49) KDM4E
SCHEMBL11783648 0.69 DYRK1A (0.48) MEN1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL14521681 0.68 RIPK1 (0.55) TSHRALDH1A1SMN1; SMN2NPC1RAB9A

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
EP-1620413-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2006-02-01 — — EP disclosed
WO-2004098494-A2 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2004-11-18 — — WO disclosed
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