SCHEMBL9004112

SCHEMBL9004112

CCCC(/C=C/c1ccccc1OC)=N\OCCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NFE2L2 Q16236 3/20 0.45
TFEB P19484 1/20 0.44
NPC1 O15118 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
BCHE P06276 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR7 P34969 1/20 0.39
LY96 Q9Y6Y9 1/20 0.39
KEAP1 Q14145 1/20 0.39
MAOB P27338 3/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL9004075 0.79 NFE2L2 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2NFE2L2
SCHEMBL9004122 0.75 HTR2A (0.45) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9004126 0.75 BCHE (0.49) SMN1; SMN2LMNABCHEHTR2AHTR2C
SCHEMBL9004121 0.75 HTR2A (0.45) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9004115 0.75 HTR2A (0.45) ALDH1A1SMN1; SMN2NPC1MAPTRAB9A
SCHEMBL9004102 0.71 HTR2A (0.51) ALDH1A1NPC1BCHEMAOBHTR2A
SCHEMBL9004105 0.71 BCHE (0.49) KDM4ENPC1RAB9ALMNABCHE
SCHEMBL9004163 0.70 NFE2L2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2NFE2L2
SCHEMBL11156099 0.69 KDM4E (0.61) KDM4EALDH1A1NFE2L2BCHEHTR7
SCHEMBL11156088 0.69 KDM4E (0.61) KDM4EALDH1A1NFE2L2BCHEHTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed
EP-0619299-A2 1-(Phenyl)-3-[omega-(amino)-alkoxyimino]-alk-1-ene derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed