SCHEMBL6270939

SCHEMBL6270939

COc1ccc(C(=O)N(C)OC)cc1-c1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNFRSF1A P19438 12/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ SLC6A9 P48067 2/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ AR P10275 1/20 0.42
▸ TUBB4A P04350 1/20 0.41
▸ TUBB P07437 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41

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
SCHEMBL30258242 0.85 AR (0.42) TNFRSF1AMAPTRXFP1KMT2AL3MBTL1
SCHEMBL6091784 0.82 LMNA (0.58) TNFRSF1AERN1MAPTRXFP1SLC6A9
SCHEMBL6265934 0.81 MAPT (0.58) TNFRSF1AERN1MAPTRXFP1MEN1
SCHEMBL6271609 0.79 CYP1A2 (0.56) TNFRSF1AERN1MAPTRXFP1SLC6A9
SCHEMBL11473280 0.78 TNFRSF1A (0.53) TNFRSF1AERN1MAPTRXFP1MEN1
SCHEMBL111283 0.77 HTR1A (0.47) TNFRSF1AMEN1KMT2AL3MBTL1KDM4E
SCHEMBL6092496 0.74 LMNA (0.46) TNFRSF1AERN1MAPTRXFP1SLC6A9
SCHEMBL6040595 0.74 LMNA (0.46) TNFRSF1AERN1MAPTRXFP1SLC6A9
SCHEMBL6111378 0.74 TNFRSF1A (0.69) TNFRSF1AMAPTMEN1KMT2AALDH1A1
SCHEMBL6091939 0.73 TNFRSF1A (0.48) TNFRSF1AERN1MAPTRXFP1SLC6A9

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
WO-2005100301-A1 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-27 — — WO disclosed
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