SCHEMBL13041607

SCHEMBL13041607

CC(c1cc(N)ccc1N)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 1/20 0.38
▸ CASP1 P29466 2/20 0.37
▸ NR1H2 P55055 1/20 0.35
▸ KIF11 P52732 3/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ AR P10275 3/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CASP7 P55210 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
SCHEMBL10002095 0.80 SMN1; SMN2 (0.49) TSHRGAAPOLBGLASMN1; SMN2
SCHEMBL29140660 0.78 TSHR (0.50) TSHRGAAPOLBGLASMN1; SMN2
SCHEMBL9503147 0.78 TSHR (0.43) TSHRGAAPOLBGLASMN1; SMN2
SCHEMBL670777 0.78 GAA (0.67) TSHRGAAPOLBGLASMN1; SMN2
SCHEMBL29402330 0.78 GAA (0.67) TSHRGAAPOLBGLASMN1; SMN2
Hydrochloric Acid SCHEMBL8642422 0.76 GAA (0.64) TSHRGAAPOLBGLASMN1; SMN2
SCHEMBL1635164 0.75 SMN1; SMN2 (0.67) TSHRGAAPOLBGLASMN1; SMN2
SCHEMBL28201831 0.74 PGR (0.51) TSHRGAAPOLBGLASMN1; SMN2
SCHEMBL3187513 0.73 TSHR (0.45) TSHRGAAPOLBGLASMN1; SMN2
SCHEMBL30469492 0.73 TSHR (0.45) TSHRGAAPOLBGLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825280-B2 Fluorine-containing polymerizable monomer and polymer compound using same CENTRAL GLASS COMPANY, LIMITED (JP) 2010-11-02 — — US disclosed
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