SCHEMBL5669241

SCHEMBL5669241

Oc1ccc(CN(Cc2ccccn2)Cc2ccccn2)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LIN28A Q9H9Z2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
APP P05067 1/20 0.48
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
TYR P14679 1/20 0.42
HTT P42858 1/20 0.39
ESR1 P03372 2/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
KCNA5 P22460 1/20 0.39
ESR2 Q92731 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
SCHEMBL31404243 0.84 MAPT (0.59) MAPTSMN1; SMN2LIN28ATDP1APP
SCHEMBL343360 0.84 MAPT (0.59) MAPTSMN1; SMN2LIN28ATDP1APP
SCHEMBL16590461 0.84 MAPT (0.59) MAPTSMN1; SMN2LIN28ATDP1APP
SCHEMBL18549341 0.84 MAPT (0.65) MAPTSMN1; SMN2LIN28ATDP1APP
SCHEMBL18549333 0.84 MAPT (0.65) MAPTSMN1; SMN2LIN28ATDP1APP
SCHEMBL16571639 0.81 MAPT (0.56) MAPTSMN1; SMN2LIN28ATDP1APP
SCHEMBL30576433 0.81 ALOX5 (0.56) MAPTSMN1; SMN2ALOX5KDM4ELMNA
SCHEMBL1846872 0.81 ALOX5 (0.56) MAPTSMN1; SMN2ALOX5KDM4ELMNA
SCHEMBL12475666 0.80 TYR (0.60) MAPTTDP1ALOX5KDM4ELMNA
SCHEMBL18549343 0.79 MAPT (0.58) MAPTSMN1; SMN2LIN28ATDP1APP

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-7018840-B2 Ligand for in the detection of toxic metals in mammals MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-03-28 US disclosed
US-20030008405-A1 Fluorescent metal sensors, and methods of making and using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed