SCHEMBL9528719

SCHEMBL9528719

CSC(=NC1CCOCC1)Nc1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
EPHX1 P07099 1/20 0.39
ABCC9 O60706 2/20 0.37
KCNJ11 Q14654 2/20 0.37
LMNA P02545 3/20 0.37
DHODH Q02127 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCR2 P41597 1/20 0.37
IDO1 P14902 1/20 0.36
PAX8 Q06710 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NLRP3 Q96P20 1/20 0.35
NAMPT P43490 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL10453589 0.86 EPHX1 (0.50) EPHX1ABCC9KCNJ11LMNAIDO1
SCHEMBL10453855 0.86 EPHX1 (0.50) EPHX1ABCC9KCNJ11LMNAIDO1
SCHEMBL9529344 0.86 EPHX1 (0.50) EPHX1ABCC9KCNJ11LMNAIDO1
SCHEMBL9528819 0.86 EPHX1 (0.50) EPHX1ABCC9KCNJ11LMNAIDO1
SCHEMBL9529175 0.79 NAMPT (0.45) EPHX1ABCC9KCNJ11LMNAALDH1A1
SCHEMBL10453349 0.76 PKM (0.47) PKMABCC9KCNJ11LMNAALDH1A1
SCHEMBL9529415 0.74 EPHX2 (0.44) EPHX1ABCC9KCNJ11LMNAALDH1A1
SCHEMBL8915586 0.74 ABCC9 (0.46) PKMABCC9KCNJ11LMNADHODH
SCHEMBL9529457 0.74 ABCC9 (0.46) PKMABCC9KCNJ11LMNADHODH
SCHEMBL9530604 0.73 EPHX1 (0.42) EPHX1ABCC9KCNJ11LMNADHODH

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