SCHEMBL9532610

SCHEMBL9532610

CSC(=NCc1cccs1)Nc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
NSD2 O96028 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
BLM P54132 1/20 0.38
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37

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 0.80 RORC (0.44) ALDH1A1LMNAMEN1KMT2ASAE1
SCHEMBL9530157 0.79 GAA (0.49) ALDH1A1ADRA2AADRA2BADRA2CL3MBTL1
SCHEMBL10453701 0.78 ABCC9 (0.46) ALDH1A1LMNAKDM4ERAB9AMEN1
SCHEMBL9532600 0.75 SCN9A (0.41) ALDH1A1LMNATRPM8RAB9APOLB
SCHEMBL9530625 0.73 MAOA (0.44) ALDH1A1LMNAKMT2ASAE1UBA2
SCHEMBL9529457 0.73 ABCC9 (0.46) ALDH1A1LMNAKDM4ERAB9AMEN1
SCHEMBL8915586 0.73 ABCC9 (0.46) ALDH1A1LMNAKDM4ERAB9AMEN1
SCHEMBL10453762 0.72 ABCC9 (0.45) ALDH1A1LMNAKDM4ERAB9AMEN1
SCHEMBL10341391 0.71 ABCC9 (0.45) ALDH1A1LMNAKDM4ERAB9AMEN1
SCHEMBL10341392 0.71 ABCC9 (0.45) ALDH1A1LMNAKDM4ERAB9AMEN1

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