SCHEMBL21782580

SCHEMBL21782580

N=C(N)NCCCC(I)C(=O)NCCNCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP7 Q9UHL4 2/20 0.36
▸ RRM1 P23921 1/20 0.35
▸ ALOX15 P16050 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA6 P23280 2/20 0.33
▸ CA7 P43166 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ CA14 Q9ULX7 2/20 0.33
▸ CA5B Q9Y2D0 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA5A P35218 1/20 0.33

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
SCHEMBL21782581 0.92 DPP7 (0.38) DPP7RRM1ALOX15ALDH1A1GNAI3
SCHEMBL21782630 0.89 GNAI3 (0.39) DPP7RRM1ALOX15ALDH1A1GNAI3
SCHEMBL21782579 0.88 DPP7 (0.32) DPP7RRM1ALOX15GNAI3GNAO1
SCHEMBL21782715 0.85 DPP7 (0.39) DPP7RRM1ALOX15LMNATDP1
SCHEMBL21782634 0.84 DPP7 (0.33) DPP7RRM1LMNAALDH1A1GNAI3
SCHEMBL14773040 0.84 SIRT6 (0.36) DPP7RRM1ALOX15GNAI3GNAO1
SCHEMBL16263592 0.81 SIRT6 (0.39) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL21782697 0.79 DNM1 (0.37) DPP7RRM1ALOX15TDP1ALDH1A1
SCHEMBL16263607 0.79 SIRT6 (0.38) DPP7RRM1SIRT6SIRT1
SCHEMBL21782582 0.77 ALOX15 (0.39) DPP7RRM1ALOX15MEN1KMT2A

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-2753613-B1 DERIVATIVES OF XANTHONE COMPOUNDS AGENCY SCIENCE TECH & RES (SG) 2020-03-04 — — EP disclosed
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