SCHEMBL9529440

SCHEMBL9529440

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

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
EPHX1 P07099 3/20 0.36
HTT P42858 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TBXA2R P21731 2/20 0.35
NAAA Q02083 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
SCHEMBL10452603 1.00 MGLL (0.51) MGLLNOS3NOS1TSHRHSD17B10
SCHEMBL9532511 1.00 MGLL (0.51) MGLLNOS3NOS1TSHRHSD17B10
SCHEMBL9530420 1.00 MGLL (0.51) MGLLNOS3NOS1TSHRHSD17B10
SCHEMBL9532515 1.00 MGLL (0.51) MGLLNOS3NOS1TSHRHSD17B10
SCHEMBL9530424 1.00 MGLL (0.51) MGLLNOS3NOS1TSHRHSD17B10
SCHEMBL10452604 1.00 MGLL (0.51) MGLLNOS3NOS1TSHRHSD17B10
SCHEMBL10453699 0.83 NOS3 (0.49) MGLLNOS3NOS1SMN1; SMN2ALDH1A1
SCHEMBL10453700 0.83 NOS3 (0.49) MGLLNOS3NOS1SMN1; SMN2ALDH1A1
SCHEMBL10453761 0.80 NOS3 (0.43) MGLLNOS3NOS1SMN1; SMN2ALDH1A1
SCHEMBL10453760 0.80 NOS3 (0.43) MGLLNOS3NOS1SMN1; SMN2ALDH1A1

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 3 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
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed