SCHEMBL21358807

SCHEMBL21358807

NC(=O)C1CCc2ccc3cccnc3c2N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 8/20 0.43
▸ PARP1 P09874 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ GMNN O75496 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ THPO P40225 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL21358576 0.88 SLC40A1 (0.44) SLC40A1PARP1KDM4EGMNNLMNA
SCHEMBL21359924 0.79 MEN1 (0.41) CYP2D6NFKB1SMN1; SMN2HIF1A
SCHEMBL19056875 0.77 SLC40A1 (0.45) SLC40A1KDM4EGMNNLMNATP53
SCHEMBL21905591 0.75 IDH1 (0.40) KDM4E
SCHEMBL19056869 0.74 SLC40A1 (0.43) SLC40A1KDM4EGMNNLMNATP53
SCHEMBL19056880 0.70 SLC40A1 (0.39) SLC40A1KDM4EGMNNLMNATP53
SCHEMBL16823472 0.70 IDH1 (0.37) KDM4EMAPTALDH1A1
SCHEMBL13154645 0.70 LMNA (0.52) SLC40A1KDM4EGMNNLMNATP53
SCHEMBL9138052 0.67 SLC40A1 (0.49) SLC40A1KDM4EGMNNLMNATP53
SCHEMBL3375947 0.67 PARP1 (0.48) SLC40A1PARP1KDM4EGMNNLMNA

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
WO-2019177937-A1 SUBSTITUTED 2-PYRIDONE TRICYCLIC COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2019-09-19 — — WO disclosed
Send feedback