SCHEMBL12895178

SCHEMBL12895178

CCCNCCN(CCN)CCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
TDP1 Q9NUW8 3/20 0.37
CA12 O43570 4/20 0.35
CA6 P23280 4/20 0.35
CA7 P43166 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
CA5B Q9Y2D0 4/20 0.35
MEN1 O00255 2/20 0.35
RECQL P46063 2/20 0.35
KMT2A Q03164 2/20 0.35
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA5A P35218 3/20 0.33
LMNA P02545 2/20 0.33
CA3 P07451 2/20 0.33
ALOX15 P16050 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL13951826 1.00 CYP2C19 (0.44) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL4745524 0.96 CYP2C9 (0.41) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL12895187 0.96 CYP2C19 (0.52) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL12598532 0.94 CYP2C9 (0.40) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL20848230 0.94 CYP2C19 (0.50) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL17933196 0.94 CYP2C19 (0.50) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL12556866 0.91 CYP2C19 (0.56) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL16672009 0.90 CYP2C19 (0.47) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL18656421 0.90 CYP2C19 (0.47) CYP2C19CYP2C9TDP1CA12CA6
SCHEMBL23489715 0.88 CYP2C19 (0.54) CYP2C19CYP2C9TDP1CA12CA6

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
US-11807803-B1 Cement spacer fluid with polyethyleneimine hydrochloride salt as a shale inhibitor SAUDI ARABIAN OIL COMPANY (SA) 2023-11-07 US disclosed
EP-2099845-B1 MULTI-FUNCTIONAL POLYALKYLENE OXIDES, HYDROGELS AND TISSUE ADHESIVES ACTAMAX SURGICAL MAT LLC (US) 2020-12-23 EP disclosed
US-9249240-B2 Graft polymers having oligoalkylenimine side chains, process for their preparation and their use BASF SE (DE) 2016-02-02 US disclosed
US-7880036-B2 hydrogenation of a mixture of at least two alpha-aminonitrile( e.g.ethylenediaminediacetonitrile, aminoacetonitrile ) with Raney catalyst in presence of H2 to produce ethylene amine e.g. ethylenediamine, diethylenetriamine etc. BASF SE (DE) 2011-02-01 US disclosed
US-20100280203-A1 GRAFT POLYMERS HAVING OLIGOALKYLENIMINE SIDE CHAINS, PROCESS FOR THEIR PREPARATION AND THEIR USE BASF SE (DE) 2010-11-04 US disclosed