SCHEMBL21787590

SCHEMBL21787590

N#Cc1ccc(-c2cnc(CCS)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.42
RIPK1 Q13546 1/20 0.42
MMP3 P08254 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
MAP4K4 O95819 2/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FLT1 P17948 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
HRH3 Q9Y5N1 4/20 0.38
KIF11 P52732 2/20 0.38
HRH2 P25021 2/20 0.38
HRH1 P35367 2/20 0.38
MMP2 P08253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36

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
SCHEMBL11756704 0.83 TSHR (0.50) CYP11B2RIPK1MMP3EGLN1TSHR
SCHEMBL11750827 0.80 TSHR (0.55) CYP11B2RIPK1MMP3EGLN1TSHR
SCHEMBL11751999 0.79 TSHR (0.62) CYP11B2RIPK1EGLN1TSHRHSD17B10
SCHEMBL10601094 0.79 TSHR (0.62) CYP11B2RIPK1EGLN1TSHRHSD17B10
SCHEMBL11751972 0.79 CYP2A6 (0.48) CYP11B2RIPK1MMP3EGLN1TSHR
SCHEMBL11749328 0.78 HSD17B10 (0.65) CYP11B2RIPK1TSHRHSD17B10HRH3
SCHEMBL11757976 0.78 HSD17B10 (0.65) CYP11B2RIPK1TSHRHSD17B10HRH3
SCHEMBL17225132 0.78 HSD17B10 (0.65) CYP11B2RIPK1TSHRHSD17B10HRH3
SCHEMBL21787722 0.76 RAB9A (0.50) MAP4K4ALDH1A1
SCHEMBL398888 0.74 NPC1 (0.54) CYP11B2RIPK1MMP3EGLN1MAP4K4

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-11171300-B2 Quantum dot light emitting diode, method for fabricating the same, and display device BOE TECHNOLOGY GROUP CO., LTD. (CN) 2021-11-09 US disclosed
US-20200075877-A1 QUANTUM DOT LIGHT EMITTING DIODE, METHOD FOR FABRICATING THE SAME, AND DISPLAY DEVICE BOE TECHNOLOGY GROUP CO., LTD. (CN) 2020-03-05 US disclosed