SCHEMBL9528129

SCHEMBL9528129

CSC(=NC1CCc2ccccc21)Nc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
IDO1 P14902 5/20 0.37
EPHX1 P07099 1/20 0.36
DHODH Q02127 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
PDPK1 O15530 1/20 0.34
ABCC9 O60706 2/20 0.34
KCNJ11 Q14654 2/20 0.34

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
SCHEMBL9529175 0.79 NAMPT (0.45) NAMPTALDH1A1LMNAIDO1EPHX1
SCHEMBL10797333 0.75 IDO1 (0.42) ALDH1A1LMNAL3MBTL1IDO1EPHX1
SCHEMBL10798861 0.75 IDO1 (0.42) ALDH1A1LMNAL3MBTL1IDO1EPHX1
SCHEMBL9528819 0.74 EPHX1 (0.50) LMNAIDO1EPHX1MEN1MAPT
SCHEMBL10453589 0.74 EPHX1 (0.50) LMNAIDO1EPHX1MEN1MAPT
SCHEMBL9529344 0.74 EPHX1 (0.50) LMNAIDO1EPHX1MEN1MAPT
SCHEMBL10453855 0.74 EPHX1 (0.50) LMNAIDO1EPHX1MEN1MAPT
SCHEMBL9528123 0.74 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1DHODHMEN1
SCHEMBL10452499 0.74 ALDH1A1 (0.50) ALDH1A1LMNAL3MBTL1DHODHMEN1
SCHEMBL9528719 0.72 PKM (0.39) NAMPTALDH1A1LMNAIDO1EPHX1

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
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