SCHEMBL13401045

SCHEMBL13401045

CCCCn1c(S)nnc1-c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.78
HSD11B1 P28845 3/20 0.53
NR1H3 Q13133 1/20 0.48
DRD2 P14416 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4B Q07343 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL14557032 0.85 TSHR (0.54) TSHRHSD11B1ALDH1A1KDM4EHPGD
SCHEMBL2988338 0.83 TSHR (0.56) TSHRHSD11B1DRD2ALDH1A1KDM4E
SCHEMBL4204105 0.83 TSHR (0.54) TSHRHSD11B1ALDH1A1KDM4EHPGD
SCHEMBL17713900 0.80 TSHR (0.49) TSHRHSD11B1DRD2ALDH1A1HPGD
SCHEMBL14112939 0.79 TSHR (0.56) TSHRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11513995 0.79 TSHR (0.49) TSHRHSD11B1ALDH1A1KDM4EHPGD
SCHEMBL1104328 0.79 MEN1 (0.51) TSHRHSD11B1ALDH1A1ADORA2B
SCHEMBL648745 0.78 TSHR (0.73) TSHRHSD11B1NR1H3DRD2ALDH1A1
SCHEMBL14557055 0.78 TSHR (0.46) TSHRHSD11B1ALDH1A1KDM4EHPGD
SCHEMBL1544149 0.77 HPGD (0.54) TSHRALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695888-B2 Photosensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2010-04-13 US disclosed
US-7695888-B2 Photosensitive lithographic printing plate FUJIFILM CORPORATION (JP) 2010-04-13 US disclosed