SCHEMBL9530719

SCHEMBL9530719

S=C(Nc1cc(Cl)cc(Cl)c1)NC1CCCCCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
CYP1A2 P05177 3/20 0.73
CYP2C19 P33261 3/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2D6 P10635 1/20 0.73
NPSR1 Q6W5P4 3/20 0.71
SMN1; SMN2 Q16637 11/20 0.66
LMNA P02545 6/20 0.66
MAPT P10636 4/20 0.66
HTT P42858 3/20 0.66
ALOX12 P18054 3/20 0.66
NPC1 O15118 3/20 0.60
MAPK1 P28482 3/20 0.60
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 4/20 0.57
POLB P06746 1/20 0.55
GAA P10253 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
HPGD P15428 1/20 0.54

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
SCHEMBL9529835 1.00 MEN1 (0.73) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL7103409 0.85 KMT2A (0.54) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL26123831 0.84 MEN1 (1.00) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL4348625 0.84 SMN1; SMN2 (0.71) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL11697622 0.83 NPSR1 (1.00) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL6565598 0.82 SMN1; SMN2 (0.68) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL28756963 0.80 SMN1; SMN2 (0.83) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL12313913 0.80 SMN1; SMN2 (0.70) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL11845603 0.80 SMN1; SMN2 (1.00) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL10143959 0.78 SMN1; SMN2 (0.72) MEN1KMT2ACYP1A2CYP2C19CYP3A4

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