SCHEMBL19861713

SCHEMBL19861713

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nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.37
BIRC2 Q13490 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PRKCA P17252 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MME P08473 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 3/20 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
SCHEMBL23314658 0.84 TSHR (0.36) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL28625413 0.82 TSHR (0.40) TSHRBIRC2GAASMN1; SMN2
SCHEMBL13033614 0.82 TSHR (0.40) TSHRBIRC2GAASMN1; SMN2
SCHEMBL1891853 0.82 TSHR (0.40) TSHRBIRC2GAASMN1; SMN2
SCHEMBL27546947 0.79 TSHR (0.41) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL38033 0.76 SMN1; SMN2 (0.39) TSHRALDH1A1L3MBTL1NPSR1POLB
SCHEMBL9160535 0.76 TSHR (0.38) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL18532001 0.76 TSHR (0.38) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL9160545 0.76 TSHR (0.38) TSHRALDH1A1PRKCATDP1L3MBTL1
SCHEMBL2363539 0.76 TSHR (0.38) TSHRALDH1A1PRKCATDP1L3MBTL1

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-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed