SCHEMBL27742205

SCHEMBL27742205

[N-]=[N+]=NCS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.48
▸ HSD11B1 P28845 8/20 0.42
▸ POLB P06746 1/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL19426682 0.82 ALDH1A1 (0.52) HSD11B1ALDH1A1MAPTNPC1LMNA
SCHEMBL18634031 0.81 PLCG1 (0.53) HSD11B1POLBKMT2ATDP1
SCHEMBL13925011 0.78 KEAP1 (0.59) PSIP1HSD11B1POLBKEAP1NFE2L2
SCHEMBL12646350 0.76 PSIP1 (0.58) PSIP1HSD11B1POLBKEAP1NFE2L2
SCHEMBL17664702 0.76 PSIP1 (0.34) PSIP1POLBHTR6
SCHEMBL10292967 0.72 PSIP1 (0.54) PSIP1HSD11B1POLBKEAP1NFE2L2
SCHEMBL13655542 0.71 ALDH1A1 (0.58) KEAP1ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL1952786 0.69 PSIP1 (0.50) PSIP1HSD11B1POLBKEAP1NFE2L2
SCHEMBL28021898 0.69 PSIP1 (0.56) PSIP1HSD11B1POLBKEAP1NFE2L2
SCHEMBL81874 0.68 HTR6 (0.44) PSIP1DUSP3PTPN5PTPN11HTR6

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
CN-101287729-A GPCR agonists PROSIDION LTD (GB) 2008-10-15 — — CN disclosed
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