SCHEMBL11154609

SCHEMBL11154609

CCCCC[N]NCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX1 P07099 6/20 0.36
NAAA Q02083 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
THRB P10828 1/20 0.35
ADH1B P00325 2/20 0.33
ADH1C P00326 2/20 0.33
ADH1A P07327 2/20 0.33
ADH7 P40394 2/20 0.33
CA1 P00915 2/20 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
SCHEMBL10566376 0.97 EPHX1 (0.40) TSHRALDH1A1EPHX1NAAAMEN1
SCHEMBL177856 0.95 TSHR (0.46) TSHRALDH1A1EPHX1NAAAMEN1
SCHEMBL1793351 0.92 EPHX1 (0.46) TSHRALDH1A1EPHX1NAAAMEN1
SCHEMBL1792344 0.92 EPHX1 (0.46) TSHRALDH1A1EPHX1NAAAMEN1
SCHEMBL1793038 0.92 EPHX1 (0.46) TSHRALDH1A1EPHX1NAAAMEN1
SCHEMBL1797346 0.92 GRIN2D (0.41) TSHRALDH1A1EPHX1GRIN2DGRIN3B
SCHEMBL10939367 0.86
SCHEMBL7282001 0.84 EPHX1 (0.62) TSHRALDH1A1EPHX1NAAAMEN1
SCHEMBL2377046 0.83 ALDH1A1 (0.43) TSHRALDH1A1EPHX1NAAAMEN1
SCHEMBL10879464 0.83 SMN1; SMN2 (0.42) TSHRALDH1A1EPHX1NAAAMEN1

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-4369181-A Process for treating proliferative skin diseases using certain 6,8-substituted ribofuranosylpurine-3',5'-cyclic phosphates SRI INTERNATIONAL (US) 1983-01-18 US claimed