SCHEMBL13368535

SCHEMBL13368535

COc1ccc2c(c1)C(CCC=O)CN2S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 4/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RORC P51449 6/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ IDO1 P14902 1/20 0.35

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
SCHEMBL13964315 0.92 HTR6 (0.64) HTR6RORCLMNATSHRMAPK1
SCHEMBL14262775 0.89 HTR6 (0.74) HTR6SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13368589 0.88 HTR6 (0.57) HTR6MAPTRORCLMNATSHR
SCHEMBL13964852 0.87 HTR6 (0.56) HTR6MAPTRORCLMNATSHR
SCHEMBL13240261 0.86 HTR6 (0.61) HTR6SMN1; SMN2MAPTRORCLMNA
SCHEMBL14468638 0.85 HTR6 (0.58) HTR6SMN1; SMN2MAPTRORCCYP3A4
SCHEMBL13964682 0.83 HTR6 (0.66) HTR6SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL13964793 0.83 HTR6 (0.60) HTR6MAPTMEN1KMT2ALMNA
SCHEMBL13368595 0.83 HTR6 (0.57) HTR6MAPTMEN1KMT2ACYP3A4
SCHEMBL13964695 0.82 HTR6 (0.54) HTR6SMN1; SMN2MEN1KMT2ALMNA

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-7723374-B2 PPAR active compounds PLEXXIKON, INC. (US) 2010-05-25 — — US disclosed
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