SCHEMBL27809758

SCHEMBL27809758

Cc1cc(NC2CCCC2)c2[nH]c(-c3nc(CCOC=O)cs3)cc2c1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3018418 0.83 SRC (0.37) TYK2ALDH1A1
SCHEMBL3033938 0.78 SMN1; SMN2 (0.45) ALDH1A1GAAHPGDHSD17B10
SCHEMBL3020621 0.78 ALDH1A1 (0.39) KDM4EALDH1A1
SCHEMBL15005722 0.77 HDAC8 (0.32) TYK2ALDH1A1HSD17B10
SCHEMBL3798658 0.77 GUSB (0.30)
SCHEMBL27964858 0.77
SCHEMBL3798656 0.77 NPC1 (0.31)
SCHEMBL15005724 0.76 ALOX15 (0.37) TYK2KDM4EALDH1A1GAAHPGD
SCHEMBL3756501 0.71 NPC1 (0.33) TYK2KDM4EALDH1A1
SCHEMBL3032674 0.70 SRC (0.38) TYK2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN claimed
CN-101801965-A Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-08-11 CN claimed
CN-101801965-B Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2014-07-30 CN disclosed
CN-101801965-A Indole compounds as inhibitors of cellular necrosis LG LIFE SCIENCES LTD 2010-08-11 CN disclosed