SCHEMBL13952007

SCHEMBL13952007

C/N=N\c1ccccc1NN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
POLB P06746 1/20 0.36
SIGMAR1 Q99720 10/20 0.35
GRIN2D O15399 8/20 0.35
GRIN3B O60391 8/20 0.35
GRIN1 Q05586 8/20 0.35
GRIN2A Q12879 8/20 0.35
GRIN2B Q13224 8/20 0.35
GRIN2C Q14957 8/20 0.35
GRIN3A Q8TCU5 8/20 0.35

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
SCHEMBL13283105 0.80 KDM4E (0.41) TDP1L3MBTL1ALDH1A1POLBSIGMAR1
SCHEMBL24916381 0.77 IDO1 (0.40) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4465102 0.75 NPC1 (0.41) TDP1L3MBTL1ALDH1A1GAANPC1
SCHEMBL13624671 0.73 TDP1 (0.40) TDP1L3MBTL1ALDH1A1CA12CA1
SCHEMBL11912167 0.73 CA12 (0.43) TDP1L3MBTL1ALDH1A1CA12CA1
Ammonia Solution, Strong SCHEMBL27844308 0.71 CA12 (0.42) TDP1L3MBTL1ALDH1A1CA12CA1
SCHEMBL27739040 0.71 CA12 (0.42) TDP1L3MBTL1ALDH1A1CA12CA1
SCHEMBL14366502 0.70 L3MBTL1 (0.71) TDP1L3MBTL1ALDH1A1SIGMAR1GRIN2D
SCHEMBL1537798 0.69 ALDH1A1 (0.52) TDP1L3MBTL1ALDH1A1CA12CA1
SCHEMBL31484713 0.69 ALDH1A1 (0.52) TDP1L3MBTL1ALDH1A1CA12CA1

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
US-7494698-B2 Polymers with high internal free volume MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-24 US disclosed