SCHEMBL2898764

SCHEMBL2898764

F[B-](F)(F)F.F[B-](F)(F)F.NCC(N)(c1ccccc1)c1ccccc1.[Fe+2]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
KCNN4 O15554 1/20 0.44
KIF11 P52732 5/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
PNMT P11086 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LOXL2 Q9Y4K0 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
SCHEMBL150158 0.88 TAAR1 (0.56) TAAR1KCNN4KIF11ALDH1A1TSHR
SCHEMBL27648862 0.85 TAAR1 (0.54) TAAR1KCNN4KIF11ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29030881 0.85 TAAR1 (0.54) TAAR1KCNN4KIF11ALDH1A1TSHR
SCHEMBL7523537 0.85 TAAR1 (0.54) TAAR1KCNN4KIF11ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL7564407 0.85 TAAR1 (0.54) TAAR1KCNN4KIF11ALDH1A1TSHR
Lithium Ion SCHEMBL10332441 0.83 TAAR1 (0.52) TAAR1KCNN4KIF11ALDH1A1TSHR
SCHEMBL28408424 0.80 TSHR (0.61) TAAR1KCNN4KIF11ALDH1A1TSHR
SCHEMBL28410415 0.76 KIF11 (0.56) TAAR1KCNN4KIF11TSHR
SCHEMBL2011883 0.72 TAAR1 (0.58) TAAR1ALDH1A1LOXL2
SCHEMBL2790358 0.71 TAAR1 (0.50) TAAR1KCNN4KIF11ALDH1A1TSHR

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-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP disclosed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO disclosed