SCHEMBL21782630

SCHEMBL21782630

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.39
▸ GNAO1 P09471 1/20 0.39
▸ GNAI1 P63096 1/20 0.39
▸ DPP7 Q9UHL4 2/20 0.38
▸ NOS1 P29475 1/20 0.37
▸ RRM1 P23921 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PAOX Q6QHF9 2/20 0.34
▸ ALDH1A2 O94788 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALDH2 P05091 1/20 0.32
▸ ALDH1A3 P47895 1/20 0.32
▸ NPY4R P50391 5/20 0.31
▸ NPY1R P25929 4/20 0.31

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 0.93 DPP7 (0.38) GNAI3GNAO1GNAI1DPP7NOS1
SCHEMBL21782580 0.89 DPP7 (0.36) GNAI3GNAO1GNAI1DPP7NOS1
SCHEMBL21782697 0.83 DNM1 (0.37) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL21782696 0.82 GNAI3 (0.41) GNAI3GNAO1GNAI1DPP7NOS1
SCHEMBL21782582 0.81 ALOX15 (0.39) DPP7NOS1RRM1ALOX15MEN1
SCHEMBL21782579 0.80 DPP7 (0.32) GNAI3GNAO1GNAI1DPP7RRM1
SCHEMBL16263589 0.80 SIRT6 (0.45) GNAI3GNAO1GNAI1DPP7NOS1
SCHEMBL20094945 0.79 GNAI3 (0.63) GNAI3GNAO1GNAI1DPP7NOS1
SCHEMBL14141508 0.78 GNAI3 (0.51) GNAI3GNAO1GNAI1DPP7NOS1
SCHEMBL6863515 0.78 GNAI3 (0.55) GNAI3GNAO1GNAI1DPP7NOS1

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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