SCHEMBL28294136

SCHEMBL28294136

CCN(CC)c1nc(Cl)nc(N(CC)CC)n1.CCN(CC)c1nc(Cl)nc(N(CC)CC)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 2/20 0.52
ALOX15 P16050 4/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 2/20 0.41
ALDH1A1 P00352 3/20 0.37
SLC29A1 Q99808 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RAB9A P51151 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL1872550 1.00 TDP1 (0.52) TDP1TSHRALOX15USP2MAPT
Hydrochloric Acid SCHEMBL31437540 0.97 TDP1 (0.50) TDP1TSHRALOX15USP2MAPT
Hydrochloric Acid SCHEMBL29191672 0.97 TDP1 (0.50) TDP1TSHRALOX15USP2MAPT
SCHEMBL2494819 0.95 TDP1 (0.46) TDP1TSHRALOX15USP2MAPT
SCHEMBL11787700 0.86 TDP1 (0.41) TDP1TSHRALOX15USP2MAPT
SCHEMBL31717978 0.86 TDP1 (0.41) TDP1TSHRALOX15USP2MAPT
SCHEMBL27361146 0.86 TDP1 (0.41) TDP1TSHRALOX15USP2MAPT
SCHEMBL2741119 0.86 TDP1 (0.64) TDP1TSHRALOX15USP2MAPT
SCHEMBL571574 0.84 MAPT (0.51) TDP1TSHRALOX15USP2MAPT
SCHEMBL11814070 0.84 TDP1 (0.44) TDP1TSHRALOX15USP2MAPT

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-109627225-A A kind of multi-floating bodies triazine herbicide continuous producing method 山东师范大学 2019-04-16 CN claimed