SCHEMBL6884423

SCHEMBL6884423

CN(C)CCCNCCCCCCCCCCCCN

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.83
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CA12 O43570 2/20 0.56
F13A1 P00488 2/20 0.56
CA2 P00918 2/20 0.56
CYP1A2 P05177 2/20 0.56
ALOX15 P16050 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
THPO P40225 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
CA1 P00915 1/20 0.56
CA3 P07451 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL6033697 1.00 TDP1 (0.83) TDP1CYP2C9CYP2C19CA12F13A1
SCHEMBL7511391 0.98 TDP1 (0.86) TDP1CYP2C9CYP2C19CA12F13A1
Hydrochloric Acid SCHEMBL7512946 0.95 TDP1 (0.83) TDP1CYP2C9CYP2C19CA12F13A1
SCHEMBL322565 0.95 TDP1 (0.75) TDP1CYP2C9CYP2C19CA12F13A1
SCHEMBL322712 0.95 TDP1 (0.75) TDP1CYP2C9CYP2C19CA12F13A1
SCHEMBL5412336 0.93 TDP1 (0.95) TDP1CYP2C9CYP2C19CA12F13A1
SCHEMBL324163 0.93 TDP1 (0.78) TDP1CYP2C9CYP2C19CA12F13A1
SCHEMBL4640460 0.93 TDP1 (0.78) TDP1CYP2C9CYP2C19CA12F13A1
SCHEMBL11312897 0.91 TDP1 (0.83) TDP1CYP2C9CYP2C19CA12F13A1
SCHEMBL11319774 0.91 TDP1 (0.83) TDP1CYP2C9CYP2C19CA12F13A1

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-2004092329-A2 SEMI-SYNTHETIC SAPONIN ANALOGS WITH CARRIER AND IMMUNE STIMULATORY ACTIVITIES FOR DNA AND RNA VACCINES GALENICA PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed