SCHEMBL28076709

SCHEMBL28076709

CC(CN)CCCN.NCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.35
NFKB1 P19838 1/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
HTR2A P28223 1/20 0.32
HRH1 P35367 1/20 0.32
DNM1 Q05193 4/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL22186 0.97
SCHEMBL21992235 0.97
Ammonia Solution, Strong SCHEMBL8642115 0.94
Hydrochloric Acid SCHEMBL3392923 0.94 ALDH1A1 (0.35) ALDH1A1LMNANFKB1GABBR2GABBR1
Ammonia Solution, Strong SCHEMBL3124611 0.94 ALDH1A1 (0.35) ALDH1A1LMNANFKB1GABBR2GABBR1
Ethylenediamine SCHEMBL5184739 0.94 ALDH1A1 (0.35) ALDH1A1LMNANFKB1GABBR2GABBR1
SCHEMBL3965273 0.94
SCHEMBL6261863 0.94 ALDH1A1 (0.35) ALDH1A1LMNANFKB1GABBR2GABBR1
Methane SCHEMBL28919278 0.94
SCHEMBL23160880 0.92 DNM1 (0.44) ALDH1A1LMNANFKB1DNM1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105283508-B Amilan polyamide resin composition and formed body 旭化成株式会社 2018-05-25 CN disclosed
CN-104231619-B Polyamide resin composition and forming body 旭化成株式会社 2017-05-24 CN disclosed
CN-105754331-A Polyamide Resin Composition And Molded Article 旭化成株式会社 2016-07-13 CN disclosed