SCHEMBL13936668

SCHEMBL13936668

COc1ccc(NC(C)C)c(CN(Cc2ccccn2)Cc2ccccn2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LIN28A Q9H9Z2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRNA7 P36544 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SYK P43405 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL13955392 0.86 TSHR (0.47) TSHRKMT2AMAPTSMN1; SMN2LIN28A
SCHEMBL13936666 0.83 MAPT (0.50) TSHRKMT2AMAPTSMN1; SMN2LIN28A
SCHEMBL13936661 0.83 MAPT (0.44) TSHRKMT2AMAPTSMN1; SMN2LIN28A
SCHEMBL13936663 0.83 MAPT (0.44) MAPTSMN1; SMN2LIN28ATDP1KDM4E
SCHEMBL13936660 0.83 MAPT (0.44) TSHRKMT2AMAPTSMN1; SMN2LIN28A
SCHEMBL13936664 0.83 TDP1 (0.44) TSHRKMT2AMAPTSMN1; SMN2LIN28A
SCHEMBL28683062 0.81 KDM4E (0.48) TSHRMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL5050033 0.81 CHRNA7 (0.49) MAPTSMN1; SMN2LIN28ATDP1CHRNA7
SCHEMBL22992734 0.77 MAPT (0.49) KMT2AMAPTSMN1; SMN2LIN28ATDP1
SCHEMBL29383167 0.77 MAPT (0.49) KMT2AMAPTSMN1; SMN2LIN28ATDP1

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