SCHEMBL9527776

SCHEMBL9527776

CSC(=NCC1CCCCCC1)Nc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.40
PAX8 Q06710 1/20 0.40
NAMPT P43490 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 2/20 0.38
CCR2 P41597 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
ABCC9 O60706 3/20 0.36
KCNJ11 Q14654 3/20 0.36
MAP2K1 Q02750 1/20 0.36
PGR P06401 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
CTSD P07339 1/20 0.35
BACE1 P56817 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
SCHEMBL10452542 1.00 EPHX1 (0.47) EPHX1TSHRPAX8NAMPTMAOA
SCHEMBL10453683 0.83 MAP2K1 (0.48) EPHX1KMT2ANPC1RAB9AMAP2K1
SCHEMBL10453674 0.82 EPHX2 (0.50) EPHX1TSHRKMT2ARAB9AMEN1
SCHEMBL10453589 0.80 EPHX1 (0.50) EPHX1TSHRPAX8MAOAMAOB
SCHEMBL9529344 0.80 EPHX1 (0.50) EPHX1TSHRPAX8MAOAMAOB
SCHEMBL9528819 0.80 EPHX1 (0.50) EPHX1TSHRPAX8MAOAMAOB
SCHEMBL10453855 0.80 EPHX1 (0.50) EPHX1TSHRPAX8MAOAMAOB
SCHEMBL10453701 0.78 ABCC9 (0.46) TSHRKMT2ARAB9ASAE1UBA2
SCHEMBL10453693 0.78 EPHX1 (0.50) EPHX1NAMPTKMT2ANPC1RAB9A
SCHEMBL10453532 0.78 MAP2K1 (0.55) NAMPTKMT2ANPC1RAB9AMAP2K1

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