SCHEMBL9533117

SCHEMBL9533117

CCCCCCCCCNC(=S)Nc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 6/20 0.55
HTT P42858 5/20 0.55
MEN1 O00255 3/20 0.55
MGLL Q99685 2/20 0.54
PKM P14618 1/20 0.53
IDO1 P14902 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALOX12 P18054 1/20 0.48
PABPC1 P11940 1/20 0.47

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
SCHEMBL9528281 1.00 LMNA (0.58) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL10513899 1.00 LMNA (0.58) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL17956746 1.00 LMNA (0.58) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL18695165 0.94 LMNA (0.66) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL9230075 0.93 IDO1 (0.60) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL1638316 0.87 NPC1 (0.54) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL7157543 0.83 EPHX1 (0.67) HTTMGLLALDH1A1
SCHEMBL17079618 0.83 EPHX1 (0.67) HTTMGLLALDH1A1
SCHEMBL8443237 0.82 LMNA (0.65) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL8391699 0.82 LMNA (0.65) LMNASMN1; SMN2KMT2AHTTMEN1

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