Allylamine

Allylamine

SCHEMBL2360384

C=CCCCN.C=CCN

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TSHR P16473 4/20 0.43
DDAH1 O94760 1/20 0.36
NFKB1 P19838 1/20 0.35
TRPA1 O75762 3/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
DNM1 Q05193 1/20 0.33
ABCC4 O15439 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 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
SCHEMBL93878 0.94
Ammonia Solution, Strong SCHEMBL5548850 0.90
SCHEMBL31678989 0.90
Iodide SCHEMBL10496390 0.90
SCHEMBL10425474 0.90 TSHR (0.45) ALDH1A1TSHRDDAH1NFKB1TRPA1
Hydrochloric Acid SCHEMBL759783 0.90
SCHEMBL131014 0.84
SCHEMBL8954646 0.81 TSHR (0.52) ALDH1A1TSHRDDAH1NFKB1TRPA1
SCHEMBL132137 0.81 TSHR (0.52) ALDH1A1TSHRDDAH1NFKB1TRPA1
SCHEMBL130220 0.81 TSHR (0.52) ALDH1A1TSHRDDAH1NFKB1TRPA1

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
WO-2011100445-A1 METHODS TO FABRICATE A PHOTOACTIVE SUBSTRATE SUITABLE FOR MICROFABRICATION LIFE BIOSCIENCE, INC. (US) 2011-08-18 WO disclosed
WO-2010011939-A2 ASSAY PLATES, METHODS AND SYSTEMS HAVING ONE OR MORE ETCHED FEATURES LIFE BIOSCIENCE, INC. (US) 2010-01-28 WO disclosed