SCHEMBL17740004

SCHEMBL17740004

CCCCCNC(=O)NCCCCN

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.75
GNAI3 P08754 1/20 0.59
GNAO1 P09471 1/20 0.59
GNAI1 P63096 1/20 0.59
PAOX Q6QHF9 2/20 0.57
SLC6A5 Q9Y345 2/20 0.56
DPP7 Q9UHL4 1/20 0.55
RRM1 P23921 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
EPHX2 P34913 2/20 0.51
DNM1 Q05193 1/20 0.50
CASP2 P42575 1/20 0.50

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
SCHEMBL11778026 0.98 EPHX1 (0.79) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL17740104 0.98 EPHX1 (0.79) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL11780869 0.98 EPHX1 (0.79) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL11780971 0.98 EPHX1 (0.79) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL21538794 0.98 EPHX1 (0.79) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL11779199 0.98 EPHX1 (0.79) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL11778781 0.94 EPHX1 (0.79) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL11779920 0.94 EPHX1 (0.79) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL11783179 0.94 EPHX1 (0.76) EPHX1GNAI3GNAO1GNAI1PAOX
SCHEMBL11778653 0.94 EPHX1 (0.76) EPHX1GNAI3GNAO1GNAI1PAOX

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-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 WO disclosed