SCHEMBL9529175

SCHEMBL9529175

CSC(=NC1Cc2ccccc2C1)Nc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
MAPT P10636 3/20 0.39
IDO1 P14902 2/20 0.38
ABCC9 O60706 2/20 0.37
KCNJ11 Q14654 2/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PAX8 Q06710 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NLRP3 Q96P20 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 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
SCHEMBL9529344 0.81 EPHX1 (0.50) MAPTIDO1ABCC9KCNJ11LMNA
SCHEMBL9528819 0.81 EPHX1 (0.50) MAPTIDO1ABCC9KCNJ11LMNA
SCHEMBL10453855 0.81 EPHX1 (0.50) MAPTIDO1ABCC9KCNJ11LMNA
SCHEMBL10453589 0.81 EPHX1 (0.50) MAPTIDO1ABCC9KCNJ11LMNA
SCHEMBL9528129 0.79 NAMPT (0.41) NAMPTMAPTIDO1ABCC9KCNJ11
SCHEMBL9528719 0.79 PKM (0.39) NAMPTMAPTIDO1ABCC9KCNJ11
SCHEMBL8915586 0.74 ABCC9 (0.46) MAPTIDO1ABCC9KCNJ11ALDH1A1
SCHEMBL9529457 0.74 ABCC9 (0.46) MAPTIDO1ABCC9KCNJ11ALDH1A1
SCHEMBL10453550 0.73 NOS3 (0.44) NAMPTMAPTIDO1ABCC9KCNJ11
SCHEMBL9529169 0.73 IDO1 (0.47) NAMPTMAPTIDO1ALDH1A1LMNA

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 2 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