SCHEMBL9530625

SCHEMBL9530625

CSC(=NCCc1ccccc1)Nc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
RORC P51449 2/20 0.42
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.38
ABCC9 O60706 3/20 0.37
KCNJ11 Q14654 3/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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 0.86 RORC (0.44) MAOAMAOBRORCSAE1UBA2
SCHEMBL9528131 0.86 MAPT (0.45) MAOAMAOBSMN1; SMN2KMT2AALDH1A1
SCHEMBL7896868 0.81 NPY5R (0.50) SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL9838248 0.79 NAMPT (0.57) MAOAMAOBABCC9KCNJ11NAMPT
SCHEMBL10453701 0.79 ABCC9 (0.46) SAE1UBA2SMN1; SMN2KMT2AABCC9
SCHEMBL10453762 0.78 ABCC9 (0.45) SAE1UBA2SMN1; SMN2KMT2AABCC9
SCHEMBL9531721 0.77 MAPT (0.44) CNR1SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL9529430 0.77 TSHR (0.41) RORCSAE1UBA2SMN1; SMN2KMT2A
SCHEMBL9529425 0.77 TSHR (0.41) RORCSAE1UBA2SMN1; SMN2KMT2A
SCHEMBL9530426 0.77 TSHR (0.41) RORCSAE1UBA2SMN1; SMN2KMT2A

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 5 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
US-4921939-A GUANIDINE AND AMIDINE COMPOUNDS CONTAINING ACID GROUPS UNIVERSITE CLAUDE BERNARD -LYON 1 (FR) 1990-05-01 US 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
EP-0241395-A2 Sweeteners derived from n-phenylguanidinoacetic and n-phenylethananamidinacetic acids, and compositions containing such sweeteners UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1987-10-14 EP disclosed