SCHEMBL9528126

SCHEMBL9528126

CSC(=Nc1ccccc1)NCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
CA12 O43570 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA1 P00915 2/20 0.44
TAAR1 Q96RJ0 2/20 0.43
MAPT P10636 2/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.42
EPHX1 P07099 1/20 0.42
GAA P10253 1/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL9527879 0.86 IDO1 (0.47) IDO1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9531717 0.86 IDO1 (0.49) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11850430 0.81 HTT (0.44) SMN1; SMN2ALDH1A1HPGDMAPTLMNA
SCHEMBL21675913 0.81 IDO1 (0.57) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11318419 0.76 IDO1 (0.51) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21132821 0.73 NOS1 (0.45) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL2794397 0.73 IDO1 (1.00) IDO1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8116495 0.72 KMT2A (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL8116496 0.72 KMT2A (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL10776734 0.71 L3MBTL1 (0.45) IDO1SMN1; SMN2ALDH1A1HPGDMAPT

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