SCHEMBL9532600

SCHEMBL9532600

CSC(=Nc1ccc(C#N)cc1)NCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.41
POLB P06746 2/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
HPGD P15428 6/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL9530548 0.80 MEN1 (0.48) NOS3NOS1HPGDALDH1A1TSHR
SCHEMBL9530547 0.80 MEN1 (0.48) NOS3NOS1HPGDALDH1A1TSHR
SCHEMBL9530153 0.78 ALDH1A1 (0.42) SCN9APOLBNOS3NOS1HPGD
SCHEMBL10453700 0.77 NOS3 (0.49) NOS3NOS1HPGDGAAALDH1A1
SCHEMBL10453699 0.77 NOS3 (0.49) NOS3NOS1HPGDGAAALDH1A1
SCHEMBL9532610 0.75 ALDH1A1 (0.42) POLBHPGDGAAALDH1A1SMN1; SMN2
SCHEMBL9527879 0.72 IDO1 (0.47) POLBNOS3NOS1HPGDMAPT
SCHEMBL9529469 0.72 NOS3 (0.53) NOS3NOS1GAAALDH1A1MAPT
SCHEMBL10453761 0.72 NOS3 (0.43) NOS3NOS1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9529688 0.72 HPGD (0.70) HPGDGAAALDH1A1MAPTSMN1; SMN2

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