SCHEMBL27558951

SCHEMBL27558951

CC(=O)OCCc1ccc2cc(Br)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
SLC6A2 P23975 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42
YWHAG P61981 1/20 0.39
APP P05067 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAOB P27338 4/20 0.38
RAD52 P43351 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
SCHEMBL13034170 0.84 CYP1A2 (0.53) MAOALMNAKDM4ENPC1TP53
SCHEMBL4668894 0.83 ALDH1A1 (0.45) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL14070437 0.83 CYP1A2 (0.45) MAOALMNAKDM4ENPC1TP53
Hydrochloric Acid SCHEMBL27558956 0.83 CYP1A2 (0.51) MAOALMNAKDM4ENPC1TP53
SCHEMBL6233836 0.83 SMN1; SMN2 (0.45) MAOALMNAKDM4ENPC1TP53
SCHEMBL14852200 0.81 MAOB (0.49) MAOAALDH1A1MAOB
SCHEMBL13422217 0.79 PPARA (0.48) ALDH1A1
SCHEMBL5776297 0.78 CYP1A2 (0.41) MAOALMNAKDM4ENPC1TP53
SCHEMBL26813604 0.78 KDM4E (0.49) LMNAKDM4ENPC1MAPTRAB9A
SCHEMBL5778334 0.78 CYP1A2 (0.41) MAOALMNAKDM4ENPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1359373-A 6- [ [ (aryl and heteroaryl) oxy ] methyl ] -naphthyl-2-carboximidamide derivatives, process for their preparation and their use in therapy SANOFI SYNTHELABO (FR) 2002-07-17 CN disclosed