SCHEMBL9530426

SCHEMBL9530426

CCCCCCCCCN=C(Nc1ccc(C#N)cc1)SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ABCC9 O60706 3/20 0.40
KCNJ11 Q14654 3/20 0.40
MGLL Q99685 2/20 0.40
PGR P06401 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
CNR2 P34972 1/20 0.38
IDO1 P14902 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
NLRP3 Q96P20 1/20 0.36
DHODH Q02127 1/20 0.36
RORC P51449 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 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
SCHEMBL9529425 1.00 TSHR (0.41) TSHRHSD17B10ABCC9KCNJ11MGLL
SCHEMBL9532523 1.00 TSHR (0.41) TSHRHSD17B10ABCC9KCNJ11MGLL
SCHEMBL9529430 1.00 TSHR (0.41) TSHRHSD17B10ABCC9KCNJ11MGLL
SCHEMBL10452606 1.00 TSHR (0.41) TSHRHSD17B10ABCC9KCNJ11MGLL
SCHEMBL9528767 0.83 PGR (0.44) TSHRMGLLPGRSAE1UBA2
SCHEMBL10453701 0.83 ABCC9 (0.46) TSHRABCC9KCNJ11SAE1UBA2
SCHEMBL10453762 0.80 ABCC9 (0.45) TSHRABCC9KCNJ11SAE1UBA2
SCHEMBL9530625 0.77 MAOA (0.44) ABCC9KCNJ11SAE1UBA2LMNA
SCHEMBL10453470 0.75 ABCC9 (0.65) TSHRABCC9KCNJ11SAE1UBA2
SCHEMBL8915586 0.75 ABCC9 (0.46) TSHRABCC9KCNJ11SAE1UBA2

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
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed