SCHEMBL4563234

SCHEMBL4563234

OCCN1CCCN2CCCN=C12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
INMT O95050 3/20 0.33
USP2 O75604 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
CHKA P35790 1/20 0.30
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL4419391 0.88 ALDH1A1 (0.31) MEN1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL23075888 0.85 USP2 (0.35) CYP3A4CYP2C19INMTUSP2
SCHEMBL22106057 0.85 USP2 (0.35) CYP3A4CYP2C19INMTUSP2
SCHEMBL4420820 0.84 SLC29A1 (0.31) CYP3A4SLC29A1
SCHEMBL22106055 0.83 ALDH1A1 (0.36) CYP3A4CYP2C19INMTUSP2
SCHEMBL22106056 0.83 ALDH1A1 (0.36) CYP3A4CYP2C19INMTUSP2
SCHEMBL251940 0.81 CYP2D6 (0.42) MEN1CYP3A4CYP2C19KMT2AINMT
SCHEMBL4433232 0.81 USP2 (0.33) INMTUSP2
SCHEMBL23571886 0.80 INMT (0.38) INMTUSP2
SCHEMBL252415 0.79 CYP2D6 (0.44) MEN1CYP3A4CYP2C19KMT2AINMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099551-A2 EXTRACTION MEDIUM USED IN A METHOD FOR CAPTURING CARBON DIOXIDE CONTAINED IN A GASEOUS EFFLUENT IFP (FR) 2009-09-16 EP disclosed
WO-2008068411-A2 EXTRACTION MEDIUM USED IN A METHOD FOR CAPTURING CARBON DIOXIDE CONTAINED IN A GASEOUS EFFLUENT IFP (FR) 2008-06-12 WO disclosed