SCHEMBL9529688

SCHEMBL9529688

N#Cc1ccc(NC(=S)NCc2cccs2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.70
ALDH1A1 P00352 4/20 0.70
MAPT P10636 6/20 0.69
LMNA P02545 5/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
HTT P42858 3/20 0.69
GAA P10253 2/20 0.69
KDM4E B2RXH2 1/20 0.69
ALOX12 P18054 4/20 0.64
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PKM P14618 1/20 0.57

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
SCHEMBL28910592 0.83 HPGD (1.00) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6798736 0.78 L3MBTL1 (0.63) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9529930 0.77 MAOB (0.71) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL26485873 0.76 LMNA (0.73) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL9528898 0.76 ALDH1A1 (0.70) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5998349 0.75 SMN1; SMN2 (0.75) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL14434222 0.75 ALDH1A1 (1.00) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL11647542 0.75 ALDH1A1 (0.68) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL11643864 0.75 ALDH1A1 (0.70) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL5449567 0.74 IDO1 (0.78) ALDH1A1MAPTLMNAMEN1KMT2A

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