SCHEMBL9529469

SCHEMBL9529469

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.53
NOS1 P29475 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP2A6 P11509 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
ABCC9 O60706 2/20 0.36
KCNJ11 Q14654 2/20 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
SCHEMBL10341394 0.85 SMN1; SMN2 (0.57) NOS3NOS1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10453700 0.82 NOS3 (0.49) NOS3NOS1SMN1; SMN2LOXL2ALDH1A1
SCHEMBL10859528 0.82 NOS3 (0.53) NOS3NOS1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10453699 0.82 NOS3 (0.49) NOS3NOS1SMN1; SMN2LOXL2ALDH1A1
SCHEMBL10453547 0.81 NOS3 (0.47) NOS3NOS1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10453549 0.81 NOS3 (0.47) NOS3NOS1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10452498 0.80 NOS3 (0.46) NOS3NOS1SMN1; SMN2ALDH1A1CA12
SCHEMBL10452520 0.80 GRIN2D (0.47) NOS3NOS1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10452521 0.80 GRIN2D (0.47) NOS3NOS1SMN1; SMN2ALDH1A1LMNA
SCHEMBL10452519 0.80 GRIN2D (0.47) NOS3NOS1SMN1; SMN2ALDH1A1LMNA

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