SCHEMBL27705607

SCHEMBL27705607

CN(C)C(C)(C)CCNCCCCNCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.52
CA2 P00918 3/20 0.52
CA4 P22748 3/20 0.52
CA6 P23280 3/20 0.52
CA5A P35218 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA5B Q9Y2D0 3/20 0.52
ALOX15 P16050 3/20 0.52
F13A1 P00488 2/20 0.52
CYP1A2 P05177 2/20 0.52
THPO P40225 2/20 0.52
CASP2 P42575 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP2C9 P11712 2/20 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
Spermine SCHEMBL27905574 0.78 CA12 (0.77) CA12CA2CA4CA6CA5A
SCHEMBL12927025 0.76 CA12 (0.57) CA12CA2CA4CA6CA5A
SCHEMBL2601753 0.75 CHRM2 (0.36) CA12CA2CA4CA6CA5A
SCHEMBL2601752 0.75
Spermine SCHEMBL27722730 0.75 CA12 (0.81) CA12CA2CA4CA6CA5A
SCHEMBL19866282 0.74 CA12 (0.62) CA12CA2CA4CA6CA5A
SCHEMBL12927133 0.74 CA12 (0.59) CA12CA2CA4CA6CA5A
SCHEMBL28195931 0.73 CASP2 (0.77) CA12CA2CA4CA6CA5A
SCHEMBL21799926 0.72 CA12 (0.56) CA12CA2CA4CA6CA5A
SCHEMBL21799948 0.72 CA12 (0.56) CA12CA2CA4CA6CA5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103080313-A Conjugates, particles, compositions, and related methods CERULEAN PHARMA INC 2013-05-01 CN claimed
CN-108474007-A Methods of producing animals comprising germline genetic modifications 联邦科学技术研究组织 2018-08-31 CN disclosed
CN-104619848-A Cell transfection method COMMW SCIENT IND RES ORG 2015-05-13 CN disclosed
CN-103080313-A Conjugates, particles, compositions, and related methods CERULEAN PHARMA INC 2013-05-01 CN disclosed
CN-101208438-A Methods of treating inflammatory diseases using double-stranded ribonucleic acids NASTECH PHARM CO (US) 2008-06-25 CN disclosed