SCHEMBL9528834

SCHEMBL9528834

S=C(Nc1ccc2cn[nH]c2c1)NC1CCCCCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.68
HSD17B10 Q99714 2/20 0.68
CYP1A2 P05177 1/20 0.68
CYP3A4 P08684 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
HIF1A Q16665 1/20 0.68
PHLPP2 Q6ZVD8 1/20 0.68
MAPT P10636 16/20 0.66
KDM4E B2RXH2 11/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
APAF1 O14727 1/20 0.66
MAPK1 P28482 1/20 0.66
BLM P54132 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
GAA P10253 3/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.59

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
SCHEMBL24797472 0.82 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL28756963 0.76 SMN1; SMN2 (0.83) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14434248 0.75 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL5823003 0.74 ALDH1A1 (0.77) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL12059988 0.73 POLB (0.65) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL11845603 0.72 SMN1; SMN2 (1.00) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9529545 0.71 ALDH1A1 (0.54) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL4347357 0.69 SMN1; SMN2 (0.62) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL9425942 0.69 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL4350019 0.69 SMN1; SMN2 (0.79) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19

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