SCHEMBL9529457

SCHEMBL9529457

C/N=C(/Nc1ccc(C#N)cc1)SC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 4/20 0.46
KCNJ11 Q14654 4/20 0.46
IDO1 P14902 2/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
IL18 Q14116 1/20 0.44

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
SCHEMBL8915586 1.00 ABCC9 (0.46) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10341391 0.84 ABCC9 (0.45) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10341392 0.84 ABCC9 (0.45) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10859522 0.81 MAPT (0.44) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10859517 0.81 MAPT (0.44) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10453701 0.81 ABCC9 (0.46) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10452496 0.79 KDM1A (0.46) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10453550 0.79 NOS3 (0.44) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10452497 0.79 KDM1A (0.46) ABCC9KCNJ11IDO1LMNAALDH1A1
SCHEMBL10452521 0.78 GRIN2D (0.47) ABCC9KCNJ11IDO1LMNAALDH1A1

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