SCHEMBL9530157

SCHEMBL9530157

CSC(=NCc1ccco1)Nc1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
ADRA2A P08913 11/20 0.47
ADRA2B P18089 6/20 0.47
ADRA2C P18825 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
HTT P42858 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ABCC9 O60706 1/20 0.36
KCNJ11 Q14654 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
SCHEMBL9530551 0.79 RORC (0.44) SMN1; SMN2ALDH1A1SAE1UBA2ABCC9
SCHEMBL9532610 0.79 ALDH1A1 (0.42) GAAADRA2AADRA2BADRA2CSMN1; SMN2
SCHEMBL10453701 0.77 ABCC9 (0.46) TSHRSMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL9530153 0.74 ALDH1A1 (0.42) GAASMN1; SMN2ALDH1A1POLBHTT
SCHEMBL9530625 0.72 MAOA (0.44) SMN1; SMN2ALDH1A1SAE1UBA2ABCC9
SCHEMBL9529457 0.72 ABCC9 (0.46) TSHRSMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL8915586 0.72 ABCC9 (0.46) TSHRSMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL10453762 0.71 ABCC9 (0.45) TSHRSMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL10341391 0.70 ABCC9 (0.45) TSHRSMN1; SMN2ALDH1A1RAB9APOLB
SCHEMBL10341392 0.70 ABCC9 (0.45) TSHRSMN1; SMN2ALDH1A1RAB9APOLB

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