SCHEMBL9528312

SCHEMBL9528312

CS/C(=N\c1cc(Cl)cc(Cl)c1)NC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 3/20 0.39
ALDH1A1 P00352 2/20 0.39
EPHX1 P07099 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 2/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CYP1A2 P05177 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9528543 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL9528315 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL9528535 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL10453738 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL10453737 1.00 NPC1 (0.39) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL10453340 0.81 TAS1R3 (0.39) NPC1RAB9AEPHX1EPHX2MAPK1
SCHEMBL10773300 0.79 GRM4 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1EPHX1
SCHEMBL10773298 0.79 GRM4 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1EPHX1
SCHEMBL10453437 0.76 AR (0.38) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL10453438 0.76 AR (0.38) NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1

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