SCHEMBL13936660

SCHEMBL13936660

CC(C)Nc1ccc(F)cc1CN(Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LIN28A Q9H9Z2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRNA7 P36544 5/20 0.40
KCNA5 P22460 1/20 0.38
FFAR1 O14842 1/20 0.38
SYK P43405 2/20 0.37
APP P05067 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 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
SCHEMBL13955267 0.86 MAPT (0.47) MAPTSMN1; SMN2LIN28ATDP1CHRNA7
SCHEMBL13936666 0.85 MAPT (0.50) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL13936664 0.85 TDP1 (0.44) MAPTSMN1; SMN2LIN28ATDP1ALDH1A1
SCHEMBL13936661 0.85 MAPT (0.44) MAPTSMN1; SMN2LIN28ATDP1APP
SCHEMBL13936663 0.85 MAPT (0.44) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL13936668 0.83 TSHR (0.45) MAPTSMN1; SMN2LIN28ATDP1CHRNA7
SCHEMBL5050820 0.79 MAPT (0.51) MAPTSMN1; SMN2LIN28ATDP1CHRNA7
SCHEMBL13936671 0.73 MAPT (0.46) MAPTSMN1; SMN2LIN28ATDP1ALDH1A1
SCHEMBL138261 0.71 SMN1; SMN2 (0.83) MAPTSMN1; SMN2LIN28ATDP1KCNA5
SCHEMBL13955269 0.70 MAPT (0.47) MAPTSMN1; SMN2LIN28ATDP1KCNA5

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
US-7488820-B2 Naphthofluorescein-based metal sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-10 US disclosed
US-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed
US-7399639-B2 Sensors, and methods of making and using the same MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-07-15 US disclosed